Vibronic coupling density analysis for α-oligothiophene cations: A new insight for polaronic defects

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Abstract Vibronic coupling density (VCD) analyses for α , α ′ -oligothiophenes (denoted α - n T, where n stands for the number of thiophene rings) cations are presented. VCD analysis can reveal the origin of vibronic couplings based on the electronic and vibrational structures. We can gain a new insight for the reason why a polaronic defect of α -oligothiophenes occurs mainly in four thiophene rings for even n and at most five thiophene rings for odd n . A role of electron-density difference in the formation of polaronic defects is discussed.

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