Evaluation of the crystalline tetracene triplet davydov splitting

作者: A. Tiberghien , G. Delacote

DOI: 10.1016/0009-2614(71)80584-5

关键词: Charge (physics)Atomic physicsChemistryExcited stateSingle crystalTriplet stateCondensed matter physicsSign (mathematics)Tetracene

摘要: Abstract The magnitude and sign of the first excited triplet state Davydov splitting tetracene single crystal has been calculated. It is found that charge transfer contribution dominant over exchange integral opposite sign. Assuming a Franck-Condon factor 0.20 for 0-0 transition, one gets E − - + ≈30 cm −1 . also shown (−) should be b polarized (+) polarized.

参考文章(11)
V. G. Krishna, W. R. Salzman, Singlet–Triplet Transition Probabilities in Aromatic Hydrocarbons. I. 1A→3La Transitions in Linear Polyacenes The Journal of Chemical Physics. ,vol. 50, pp. 3875- 3879 ,(1969) , 10.1063/1.1671643
D. M. Burland, G. Castro, Experimental Observation of Factor‐Group Splitting in the Benzene 3B1u State The Journal of Chemical Physics. ,vol. 50, pp. 4107- 4108 ,(1969) , 10.1063/1.1671672
S. P. McGlynn, M. R. Padhye, M. Kasha, Lowest Triplet Levels of the Polyacenes Journal of Chemical Physics. ,vol. 23, pp. 593- 594 ,(1955) , 10.1063/1.1742045
Martin Pope, José Burgos, Joseph Giachino, Charge‐Transfer Exciton State and Energy Levels in Tetracene Crystal The Journal of Chemical Physics. ,vol. 43, pp. 3367- 3371 ,(1965) , 10.1063/1.1726399
Joshua Jortner, Stuart A. Rice, Joseph L. Katz, Sang‐Il Choi, Triplet Excitons in Crystals of Aromatic Molecules Journal of Chemical Physics. ,vol. 42, pp. 309- 323 ,(1965) , 10.1063/1.1695693
George Castro, G. W. Robinson, Singlet–Triplet Absorption of Crystalline Naphthalene by High‐Resolution Photoexcitation Spectroscopy The Journal of Chemical Physics. ,vol. 50, pp. 1159- 1164 ,(1969) , 10.1063/1.1671172
Robin M. Hochstrasser, Polarization of Triplet Factor Group States The Journal of Chemical Physics. ,vol. 47, pp. 1015- 1019 ,(1967) , 10.1063/1.1711982
J. M. Robertson, V. C. Sinclair, J. Trotter, The crystal and molecular structure of tetracene Acta Crystallographica. ,vol. 14, pp. 697- 704 ,(1961) , 10.1107/S0365110X61002151
Richard H. Clarke, Robin M. Hochstrasser, Electronic Zeeman Effect in Anthracene The Journal of Chemical Physics. ,vol. 46, pp. 4532- 4533 ,(1967) , 10.1063/1.1840582
Rudolph Pariser, Theory of the Electronic Spectra and Structure of the Polyacenes and of Alternant Hydrocarbons The Journal of Chemical Physics. ,vol. 24, pp. 250- 268 ,(1956) , 10.1063/1.1742461