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Free‐electron model and triplet‐state lifetime of benzene
Author(s) -
Sen Purnendranath,
Basu Sadhan
Publication year - 1968
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560020202
Subject(s) - singlet state , benzene , triplet state , singlet fission , chemistry , free electron model , electron , photochemistry , atomic physics , molecular physics , materials science , computational chemistry , physics , quantum mechanics , excited state , organic chemistry
Using the free‐electron model the triplet‐state lifetime of benzene for the 330 mμ band has been estimated to be about 36 sec, which compares favourably with the corrected experimental value of 30 sec. It has also been established that the perturbing singlet must be a π‐σ singlet rather than a π‐π singlet.