書誌事項
- タイトル別名
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- Catalytic Roles of V2O5 on Benzene Ring Decomposition using Ab Initio Molecular Orbital Method
- ヒケイケンテキ ブンシ キドウホウ ニ ヨル 5サンカ バナジウム ショクバイ コウカ オ コウリョシタ ベンゼンカン カイレツ カテイ ニ カンスル ケイサン カガクテキ カイセキ
この論文をさがす
説明
In this study, in order to elucidate benzene decomposition reaction path on V2O5 catalysis, ab initio molecular orbital calculation has been conducted for 5 elemental reaction steps involved in the reaction between benzene and V2O9H8 cluster, proposed by Jaine, et al., i.e. benzene adsorption, hydrogen atom surface transfer, hydrogen gas de-sorption, oxygen gas adsorption and benzene ring decomposition. Molecular structures in stable state, transition state and intermediate molecular structures have been revealed in this proposed reaction steps. The reaction scheme can be described as follows; (1) electron in benzene transfer themselves to the catalysis cluster, whereby hydrogen atom transfer on the catalysis surface proceeds for the subsequent hydrogen molecular gas de-sorption, and (2) benzene ring decomposition takes place via the unique Mars-van Krevelen mechanism on V2O5 catalysis.
収録刊行物
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- 環境化学
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環境化学 17 (1), 37-45, 2007
一般社団法人 日本環境化学会
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詳細情報 詳細情報について
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- CRID
- 1390282679345243648
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- NII論文ID
- 10018894020
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- NII書誌ID
- AN10547099
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- COI
- 1:CAS:528:DC%2BD2sXksVykurY%3D
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- ISSN
- 18825818
- 09172408
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- NDL書誌ID
- 8756237
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- NDL
- Crossref
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可
