{"@context":{"@vocab":"https://cir.nii.ac.jp/schema/1.0/","rdfs":"http://www.w3.org/2000/01/rdf-schema#","dc":"http://purl.org/dc/elements/1.1/","dcterms":"http://purl.org/dc/terms/","foaf":"http://xmlns.com/foaf/0.1/","prism":"http://prismstandard.org/namespaces/basic/2.0/","cinii":"http://ci.nii.ac.jp/ns/1.0/","datacite":"https://schema.datacite.org/meta/kernel-4/","ndl":"http://ndl.go.jp/dcndl/terms/","jpcoar":"https://github.com/JPCOAR/schema/blob/master/2.0/"},"@id":"https://cir.nii.ac.jp/crid/1360004233234876672.json","@type":"Article","productIdentifier":[{"identifier":{"@type":"DOI","@value":"10.1021/jp300636s"}},{"identifier":{"@type":"URI","@value":"https://pubs.acs.org/doi/pdf/10.1021/jp300636s"}},{"identifier":{"@type":"PMID","@value":"22380424"}}],"resourceType":"学術雑誌論文(journal article)","dc:title":[{"@value":"NMR Study of Cation Dynamics in Three Crystalline States of 1-Butyl-3-methylimidazolium Hexafluorophosphate Exhibiting Crystal Polymorphism"}],"description":[{"notation":[{"@value":"We investigate the cation rotational dynamics of a room temperature ionic liquid (RTIL) 1-butyl-3-methylimidazolium hexafluorophosphate ([C(4)mim]PF(6)) in its three crystalline states by (1)H NMR spectroscopy. Spin-lattice and spin-spin relaxation time (T(1) and T(2), respectively) measurements as a function of temperature confirm the presence of three polymorphic crystals of [C(4)mim]PF(6): crystals α, β, and γ, which we previously discovered using Raman spectroscopy and calorimetry. Second moment calculations of (1)H NMR spectra reveal that certain segmental motions of the butyl group in addition to the rapid rotation of the two methyl groups in the cation occur in all the crystals. The trend in the mobility of the segmental motions is γβ ≤ α, which is consistent with the strength of cation-anion interactions (or crystal packing density) estimated from high-frequency Raman scattering experiments. T(1) measurements demonstrate two types of rotational motions on the nanosecond time scale in all three crystals: fast and slow motions. The three crystals have similar activation energies of 12.5-15.1 kJ mol(-1) for the fast motion, which is assigned to the rotation of the methyl group at the terminal of the butyl group. These observed activation energies were consistent with that estimated by quantum chemical calculations in the gas phase (11.9 kJ mol(-1)). In contrast, the slow motions of crystals α and γ are attributed to different segmental motions of the butyl group and that of crystal β to either a little segmental motion or a certain PF(6)(-) rotational motion. These nanosecond rotational motions obtained from the T(1) measurements do not appear to be affected by crystal packing density because local interactions in the crystalline state rather than packing density govern such nanosecond motions. With respect to the segmental motions, the mobility is likely to change significantly with the conformation of the butyl group. On the basis of these findings, crystal γ, which is the only crystalline phase previously determined using single-crystal X-ray diffraction, is considered to be the most stable phase because of the slowest segmental motions and the strongest cation-anion interactions."}]}],"creator":[{"@id":"https://cir.nii.ac.jp/crid/1380004233234876672","@type":"Researcher","foaf:name":[{"@value":"Takatsugu Endo"}],"jpcoar:affiliationName":[{"@value":"Graduate School of Advanced\rIntegration Science, Chiba University,\r1-33 Yayoi-cho, Inage-ku, Chiba 263-8522, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380004233234876674","@type":"Researcher","foaf:name":[{"@value":"Hiroki Murata"}],"jpcoar:affiliationName":[{"@value":"Graduate School of Advanced\rIntegration Science, Chiba University,\r1-33 Yayoi-cho, Inage-ku, Chiba 263-8522, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380004233234876673","@type":"Researcher","foaf:name":[{"@value":"Mamoru Imanari"}],"jpcoar:affiliationName":[{"@value":"Chemical Analysis Center, Chiba University, Yayoi, Inage-ku, Chiba 263-8522,\rJapan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380004233234876677","@type":"Researcher","foaf:name":[{"@value":"Noriko Mizushima"}],"jpcoar:affiliationName":[{"@value":"Laboratory of Clinical\rPharmacy, Yokohama College of Pharmacy,\rMatano-cho 601, Totsuka,\rYokohama 245-0066, Japan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380004233234876676","@type":"Researcher","foaf:name":[{"@value":"Hiroko Seki"}],"jpcoar:affiliationName":[{"@value":"Chemical Analysis Center, Chiba University, Yayoi, Inage-ku, Chiba 263-8522,\rJapan"}]},{"@id":"https://cir.nii.ac.jp/crid/1380004233234876675","@type":"Researcher","foaf:name":[{"@value":"Keiko Nishikawa"}],"jpcoar:affiliationName":[{"@value":"Graduate School of Advanced\rIntegration Science, Chiba University,\r1-33 Yayoi-cho, Inage-ku, Chiba 263-8522, Japan"}]}],"publication":{"publicationIdentifier":[{"@type":"PISSN","@value":"15206106"},{"@type":"EISSN","@value":"15205207"}],"prism:publicationName":[{"@value":"The Journal of Physical Chemistry B"}],"dc:publisher":[{"@value":"American Chemical Society (ACS)"}],"prism:publicationDate":"2012-03-19","prism:volume":"116","prism:number":"12","prism:startingPage":"3780","prism:endingPage":"3788"},"reviewed":"false","url":[{"@id":"https://pubs.acs.org/doi/pdf/10.1021/jp300636s"}],"createdAt":"2012-03-02","modifiedAt":"2023-04-07","foaf:topic":[{"@id":"https://cir.nii.ac.jp/all?q=Magnetic%20Resonance%20Spectroscopy","dc:title":"Magnetic Resonance Spectroscopy"},{"@id":"https://cir.nii.ac.jp/all?q=Cations","dc:title":"Cations"},{"@id":"https://cir.nii.ac.jp/all?q=Imidazoles","dc:title":"Imidazoles"},{"@id":"https://cir.nii.ac.jp/all?q=Temperature","dc:title":"Temperature"},{"@id":"https://cir.nii.ac.jp/all?q=Crystallization","dc:title":"Crystallization"}],"project":[{"@id":"https://cir.nii.ac.jp/crid/1040000782220397056","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"24655003"},{"@type":"JGN","@value":"JP24655003"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-24655003/"}],"notation":[{"@language":"ja","@value":"相変化の過渡を捉える"},{"@language":"en","@value":"Observation of instant process at phase change"}]},{"@id":"https://cir.nii.ac.jp/crid/1040282257042439552","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"21245003"},{"@type":"JGN","@value":"JP21245003"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-21245003/"}],"notation":[{"@language":"ja","@value":"超高感度熱測定による物質科学の新展開"},{"@language":"en","@value":"Innovative Development of Material Science with Ultra-Sensitive Calorimetory"}]},{"@id":"https://cir.nii.ac.jp/crid/1040282257099696512","@type":"Project","projectIdentifier":[{"@type":"KAKEN","@value":"22590001"},{"@type":"JGN","@value":"JP22590001"},{"@type":"URI","@value":"https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-22590001/"}],"notation":[{"@language":"ja","@value":"核磁気共鳴法および質量分析法による糖鎖の構造解析とダイナミクス"},{"@language":"en","@value":"Structural analysis and dynamics of oligosaccharides by NMR Spectroscopy and Mass Spectrometry"}]}],"relatedProduct":[{"@id":"https://cir.nii.ac.jp/crid/1360004233235292928","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"A Comparative Study of the Rotational Dynamics of PF<sub>6</sub><sup>–</sup> Anions in the Crystals and Liquid States of 1-Butyl-3-methylimidazolium Hexafluorophosphate: Results from <sup>31</sup>P NMR Spectroscopy"}]},{"@id":"https://cir.nii.ac.jp/crid/1360004233556133248","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"NMR study on relationships between reorientational dynamics and phase behaviour of room-temperature ionic liquids: 1-alkyl-3-methylimidazolium cations"}]},{"@id":"https://cir.nii.ac.jp/crid/1360009142873061760","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Unique phase behavior of a room-temperature ionic liquid, trimethylpropylammonium bis(fluorosulfonyl)amide: surface melting and its crystallization"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011143595654144","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Strong, Localized, and Directional Hydrogen Bonds Fluidize Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011146551569280","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Motional Corrections to Distances Derived from NMR Data: NH4Cl, NH4F, and N2H6F2"}]},{"@id":"https://cir.nii.ac.jp/crid/1360011146610196480","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Revisited vibrational assignments of imidazolium‐based ionic liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360025429441232896","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Heterogeneous dynamics of diffusive motion in organic ionic plastic crystal studied using spin–spin relaxation time: <i>N,N</i>-diethylpyrrolidinium bis(fluorosulfonyl)amide"}]},{"@id":"https://cir.nii.ac.jp/crid/1360282588974003328","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Relaxation Effects in Nuclear Magnetic Resonance Absorption"}]},{"@id":"https://cir.nii.ac.jp/crid/1360283691650731392","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Phase Behaviors of Room Temperature Ionic Liquid Linked with Cation Conformational Changes: 1-Butyl-3-methylimidazolium Hexafluorophosphate"}]},{"@id":"https://cir.nii.ac.jp/crid/1360283694087056768","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Rotational Isomerism and Structure of the 1-Butyl-3-methylimidazolium Cation in the Ionic Liquid State"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285707061135744","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Crystal polymorphism of a room-temperature ionic liquid, 1,3-dimethylimidazolium hexafluorophosphate: Calorimetric and structural studies of two crystal phases having melting points of ∼50 K difference"}]},{"@id":"https://cir.nii.ac.jp/crid/1360285708570784896","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Influence of the molecular-oriented structure of ionic liquids on the crystallinity of aluminum hydroxide prepared by a sol–gel process in ionic liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292618595201152","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Structures of Ionic Liquids with Different Anions Studied by Infrared Vibration Spectroscopy"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292619402352512","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Cation dynamic studies in <i>n</i>-propylammonium chloride, CH3(CH2)2NH3Cl, by NMR"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292619670123520","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Why Does a Reduction in Hydrogen Bonding Lead to an Increase in Viscosity for the 1-Butyl-2,3-dimethyl-imidazolium-Based Ionic Liquids?"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292620065334528","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Ionic Liquids as Advantageous Solvents for Headspace Gas Chromatography of Compounds with Low Vapor Pressure"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292620486386816","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Physical Properties of Ionic Liquids Consisting of the 1-Butyl-3-Methylimidazolium Cation with Various Anions and the Bis(trifluoromethylsulfonyl)imide Anion with Various Cations"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292620745541504","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Conformational Analysis of 1-Butyl-3-methylimidazolium by CCSD(T) Level Ab Initio Calculations: Effects of Neighboring Anions"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292621278279936","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"In situ Crystallization of Low-Melting Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292621360580352","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Modified Spin-Echo Method for Measuring Nuclear Relaxation Times"}]},{"@id":"https://cir.nii.ac.jp/crid/1360292621579843712","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Hydrogen Bond Stabilization in 1,3-Dimethylimidazolium Methyl Sulfate and 1-Butyl-3-Methylimidazolium Hexafluorophosphate Probed by High Pressure:  The Role of Charge-Enhanced C−H···O Interactions in the Room-Temperature Ionic Liquid"}]},{"@id":"https://cir.nii.ac.jp/crid/1360565169063708928","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Raman Spectra, Crystal Polymorphism, and Structure of a Prototype Ionic-liquid [bmim]Cl"}]},{"@id":"https://cir.nii.ac.jp/crid/1360567183187430656","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Effects of Methylation at the 2 Position of the Cation Ring on Phase Behaviors and Conformational Structures of Imidazolium-Based Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574092888916224","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Density-functional thermochemistry. III. The role of exact exchange"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574092892313088","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574093623893376","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Effects of Diffusion on Free Precession in Nuclear Magnetic Resonance Experiments"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574094141304704","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Double-pulse nuclear-resonance transients in solids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574094857201024","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"A nuclear magnetic resonance investigation of solid\n                    <i>cyclo</i>\n                    hexane"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574095123111936","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"IR and X-ray Study of Polymorphism in 1-Alkyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imides"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574095133684608","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Evidence of Rotational Isomerism in 1-Butyl-3-methylimidazolium Halides:  A Combined High-Pressure Infrared and Raman Spectroscopic Study"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574096235647616","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Electrochemical Aspects of Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360574096570472576","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Zero Time Resolution Nuclear Magnetic Resonance Transient in Solids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360846644040918528","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Crystal Structure of 1-Butyl-3-methylimidazolium Iodide"}]},{"@id":"https://cir.nii.ac.jp/crid/1360848657014729600","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Thermal phase behavior of 1-butyl-3-methylimidazolium hexafluorophosphate: Simultaneous measurements of the melting of two polymorphic crystals by Raman spectroscopy and calorimetry"}]},{"@id":"https://cir.nii.ac.jp/crid/1360848658108087808","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure–Property Relationships"}]},{"@id":"https://cir.nii.ac.jp/crid/1360855568728474368","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Ionic liquid structure: the conformational isomerism in 1‐butyl‐3‐methyl‐imidazolium tetrafluoroborate ([bmim][BF<sub>4</sub>])"}]},{"@id":"https://cir.nii.ac.jp/crid/1360855569628472448","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model"}]},{"@id":"https://cir.nii.ac.jp/crid/1360855570773660800","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Simulation studies of ionic liquids: Orientational correlations and static dielectric properties"}]},{"@id":"https://cir.nii.ac.jp/crid/1360855570780428672","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Catalytic reactions in ionic liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1360861287211441408","@type":"Article","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@value":"Nuclear Magnetic Resonance Study on Relationship between Phase Behavior and Rotational and Translational Dynamics of an Ionic Liquid with a Plastic Crystal Phase: <i>N</i>-Butyl-<i>N</i>-methylpiperidinium Hexafluorophosphate"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137044788023040","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Melting and Freezing Behaviors of Prototype Ionic Liquids, 1-Butyl-3-methylimidazolium Bromide and Its Chloride, Studied by Using a Nano-Watt Differential Scanning Calorimeter"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137044971983360","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Systematic Dielectric and NMR Study of the Ionic Liquid 1‐Alkyl‐3‐Methyl Imidazolium"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137045294832640","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Magnetic Resonance Studies of Ferroelectric Methylammonium Alum"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137045336432384","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Probing Electron Density of H-Bonding between Cation−Anion of Imidazolium-Based Ionic Liquids with Different Anions by Vibrational Spectroscopy"}]},{"@id":"https://cir.nii.ac.jp/crid/1361137045972995968","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418518922896512","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Phase transition of [Cn-mim][PF6] under high pressure up to 1.0 GPa"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418518963973504","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"A Refined Force Field for Molecular Simulation of Imidazolium-Based Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418520281127936","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Theoretical study on cation–anion interaction and vibrational spectra of 1-allyl-3-methylimidazolium-based ionic liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418520626419072","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Physicochemical Properties and Structures of Room Temperature Ionic Liquids. 1. Variation of Anionic Species"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418520824159360","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Temperature and Pressure Dependence of the Viscosity of the Ionic Liquid 1-Butyl-3-methylimidazolium Hexafluorophosphate"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418521106155648","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Dynamics in an Idealized Ionic Liquid Model"}]},{"@id":"https://cir.nii.ac.jp/crid/1361418521480305152","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Application of Density Functional Theory and Vibrational Spectroscopy Toward the Rational Design of Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699993899946496","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermodynamics, Structure, and Dynamics in Room Temperature Ionic Liquids:  The Case of 1-Butyl-3-methyl Imidazolium Hexafluorophosphate ([bmim][PF<sub>6</sub>])"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699995313864064","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Atom Substitution Effects of [XF<sub>6</sub>]<sup>−</sup> in Ionic Liquids. 1. Experimental Study"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699995548781568","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Small angle neutron scattering from 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids ([Cnmim][PF6], n=4, 6, and 8)"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699995692301824","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Comment on “New Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids”"}]},{"@id":"https://cir.nii.ac.jp/crid/1361699996370501376","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Structural Investigations by Means of Nuclear Magnetism. II. Hindered Rotation in Solids"}]},{"@id":"https://cir.nii.ac.jp/crid/1361981469147992704","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Ion‐Pair Formation in the Ionic Liquid 1‐Ethyl‐3‐methylimidazolium Bis(triflyl)imide as a Function of Temperature and Concentration"}]},{"@id":"https://cir.nii.ac.jp/crid/1361981469900432256","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Molecular Structure, Vibrational Spectra, and Hydrogen Bonding of the Ionic Liquid 1‐Ethyl‐3‐methyl‐1<i>H</i>‐imidazolium Tetrafluoroborate"}]},{"@id":"https://cir.nii.ac.jp/crid/1361981470505937408","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"New Scale Factors for Harmonic Vibrational Frequencies Using the B3LYP Density Functional Method with the Triple-ζ Basis Set 6-311+G(d,p)"}]},{"@id":"https://cir.nii.ac.jp/crid/1361981471107885696","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"1H NMR study on reorientational dynamics of an ionic liquid, 1-butyl-3-methylimidazolium bromide, accompanied with phase transitions"}]},{"@id":"https://cir.nii.ac.jp/crid/1362262945193502336","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Crystal polymorphism in 1-butyl-3-methylimidazolium halides: supporting ionic liquid formation by inhibition of crystallizationElectronic supplementary information (ESI) available: packing diagrams for I and II; table of closest contacts for I, I-Br and II. See http://www.rsc.org/suppdata/cc/b3/b304543a/"}]},{"@id":"https://cir.nii.ac.jp/crid/1362262946056663552","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Orientational and translational dynamics in room temperature ionic liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1362544418327565952","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Preparation and Characterization of New Room Temperature Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1362544418496113408","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"The Dipolar Broadening of Magnetic Resonance Lines in Crystals"}]},{"@id":"https://cir.nii.ac.jp/crid/1362544420881749888","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Ions at the Surface of a Room-Temperature Ionic Liquid"}]},{"@id":"https://cir.nii.ac.jp/crid/1362544421122123008","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Relaxation Processes in Room Temperature Ionic Liquids:  The Case of 1-Butyl-3-Methyl Imidazolium Hexafluorophosphate"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825893388217216","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Formation of metastable crystals of [C4mim][NTf2] and [C6mim][NTf2]"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825893523309184","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Room-Temperature Ionic Liquids. Solvents for Synthesis and Catalysis"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825895135505920","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Physicochemical Properties, Structure, and Conformations of 1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide [C<sub>4</sub>mim]NTf<sub>2</sub> Ionic Liquid"}]},{"@id":"https://cir.nii.ac.jp/crid/1362825895709482624","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermodynamic Properties of Imidazolium-Based Ionic Liquids:  Densities, Heat Capacities, and Enthalpies of Fusion of [bmim][PF<sub>6</sub>] and [bmim][NTf<sub>2</sub>]"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107368351624192","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Raman and ab Initio Studies of Simple and Binary 1-Alkyl-3-methylimidazolium Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107369114308352","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Density and viscosity of several pure and water-saturated ionic liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107369663089664","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Viscosity of [bmim][PF6] and [bmim][BF4] at High Pressure"}]},{"@id":"https://cir.nii.ac.jp/crid/1363107371180891136","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"How Ionic Are Room-Temperature Ionic Liquids? An Indicator of the Physicochemical Properties"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388844167054976","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"In Situ Crystallization of Low-Melting Ionic Liquid [BMIM][PF<sub>6</sub>] under High Pressure up to 2 GPa"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388844713296640","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Molecular Dynamics Study of the Ionic Liquid 1-<i>n</i>-Butyl-3-methylimidazolium Hexafluorophosphate"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388845246126208","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Evidence of Conformational Equilibrium of 1-Ethyl-3-methylimidazolium in Its Ionic Liquid Salts:  Raman Spectroscopic Study and Quantum Chemical Calculations"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388845360280832","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Molecular structure, reorientational dynamics, and intermolecular interactions in the neat ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388845685327104","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Single particle dynamics in ionic liquids of 1-alkyl-3-methylimidazolium cations"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388845768971904","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Liquid structure of 1-alkyl-3-methylimidazolium-hexafluorophosphates by wide angle x-ray and neutron scattering and molecular dynamics"}]},{"@id":"https://cir.nii.ac.jp/crid/1363388845964845184","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Molecular Dynamics Simulations of Ionic Liquids: Cation and Anion Dependence of Self-Diffusion Coefficients of Ions"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670318243506176","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Ionic Liquids—New “Solutions” for Transition Metal Catalysis"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670318464502400","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Proton Magnetic Resonance of the CH3 Group. IV. Calculation of the Tunneling Frequency and of <i>T</i>1 in Solids"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670318565835136","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670319856451840","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermophysical Properties of Imidazolium-Based Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1363670320231029888","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Crystallographic view of fluidic structures for room-temperature ionic liquids: 1-butyl-3-methylimidazolium hexafluorophosphate"}]},{"@id":"https://cir.nii.ac.jp/crid/1363951793970613120","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Pressure-induced phase transition of 1-butyl-3-methylimidazolium hexafluorophosphate [bmim][PF<sub>6</sub>]"}]},{"@id":"https://cir.nii.ac.jp/crid/1363951795054427008","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Physical properties of ionic liquids based on 1-alkyl-3-methylimidazolium cation and hexafluorophosphate as anion and temperature dependence"}]},{"@id":"https://cir.nii.ac.jp/crid/1363951795376941184","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"New Interpretation of the CH Stretching Vibrations in Imidazolium-Based Ionic Liquids"}]},{"@id":"https://cir.nii.ac.jp/crid/1363951795645787392","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"The role of the C2 position in interionic interactions of imidazolium based ionic liquids: a vibrational and NMR spectroscopic study"}]},{"@id":"https://cir.nii.ac.jp/crid/1364233268330342400","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermodynamic Properties of 1-Butyl-3-methylimidazolium Hexafluorophosphate in the Condensed State"}]},{"@id":"https://cir.nii.ac.jp/crid/1364233268966738176","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Structural organization and phase behaviour of 1-butyl-3-methylimidazolium hexafluorophosphate: an high pressure Raman spectroscopy study"}]},{"@id":"https://cir.nii.ac.jp/crid/1364233269121792896","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermodynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate from Monte Carlo simulations"}]},{"@id":"https://cir.nii.ac.jp/crid/1364233269212124672","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Thermophysical and Thermodynamic Properties of 1-Butyl-3-methylimidazolium Tetrafluoroborate and 1-Butyl-3-methylimidazolium Hexafluorophosphate over an Extended Pressure Range"}]},{"@id":"https://cir.nii.ac.jp/crid/1390001204089868544","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"ja","@value":"PF<sub>6</sub><sup>－</sup>を対アニオンとしたイミダゾリウム系イオン液体の複雑な熱的相挙動とその分子レベルでの理解"},{"@language":"en","@value":"Understanding Thermal Phase Behaviors of PF<sub>6</sub><sup>－</sup>-Paired Imidazolium-Based Ionic Liquids at the Molecular Level"},{"@value":"PF6－を対アニオンとしたイミダゾリウム系イオン液体の複雑な熱的相挙動とその分子レベルでの理解"},{"@value":"PF₆⁻を対アニオンとしたイミダゾリウム系イオン液体の複雑な熱的相挙動とその分子レベルでの理解"},{"@language":"ja-Kana","@value":"PF ₆ ⁻ オ タイ アニオン ト シタ イミダゾリウムケイ イオン エキタイ ノ フクザツ ナ ネツテキソウ キョドウ ト ソノ ブンシ レベル デ ノ リカイ"}]},{"@id":"https://cir.nii.ac.jp/crid/1390001206499753216","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Thermophysical Properties of Binary Amide Anion-Based Ionic Liquids; TMPAFSA<i><sub>x</sub></i>TFSA<sub>1−</sub><i><sub>x</sub></i>"}]},{"@id":"https://cir.nii.ac.jp/crid/1390282679166079104","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Nuclear Magnetic Resonance Experiment on Solid Hexamethyldisilane"}]},{"@id":"https://cir.nii.ac.jp/crid/1390282680271370880","@type":"Article","resourceType":"学術雑誌論文(journal article)","relationType":["isReferencedBy"],"jpcoar:relatedTitle":[{"@language":"en","@value":"Unique Thermal Behaviors of Ionic Liquids"},{"@language":"ja","@value":"イオン液体のユニークな熱物性"},{"@language":"ja-Kana","@value":"イオン エキタイ ノ ユニーク ナ ネツ ブッセイ"}]},{"@id":"https://cir.nii.ac.jp/crid/1520290883880466688","@type":"Article","relationType":["references"],"jpcoar:relatedTitle":[{"@value":"Development of apparatus for simultaneous measurements of raman spectroscopy and high-sensitivity calorimetry"},{"@language":"ja-Kana","@value":"Development of apparatus for simultaneous measurements of raman spectroscopy and high sensitivity calorimetry"}]}],"dataSourceIdentifier":[{"@type":"CROSSREF","@value":"10.1021/jp300636s"},{"@type":"KAKEN","@value":"PRODUCT-14758134"},{"@type":"KAKEN","@value":"PRODUCT-12570046"},{"@type":"KAKEN","@value":"PRODUCT-12570138"},{"@type":"KAKEN","@value":"PRODUCT-13517159"},{"@type":"KAKEN","@value":"PRODUCT-14758148"},{"@type":"OPENAIRE","@value":"doi_dedup___::5c6fe0ff4ce0421a8c4a0427549392bf"},{"@type":"CROSSREF","@value":"10.1039/d0cp03073b_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.1093/bulcsj/uoae088_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.1039/c5cp02015h_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.3131/jvsj2.56.47_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.1021/jp310947c_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.1016/j.cplett.2013.08.052_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.1246/bcsj.20230127_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.5796/electrochemistry.17-00093_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.1021/cg401293g_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"},{"@type":"CROSSREF","@value":"10.5940/jcrsj.58.7_references_DOI_XgRbTd2KFUdlL1y6vZBS09Rd0tu"}]}