Experimental Study of the Higher π → π* Transitions of Benzene in Low‐Temperature Matrices
| Autor: | Benjamin Sharf, Benjamin Katz, Joshua Jortner, Malka Brith |
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| Rok vydání: | 1970 |
| Předmět: | |
| Zdroj: | The Journal of Chemical Physics. 52:88-102 |
| ISSN: | 1089-7690 0021-9606 |
| DOI: | 10.1063/1.1672725 |
| Popis: | In this paper we present the results of an experimental study of the absorption spectrum of benzene and deuterated benzenes in solid Ar, Kr, Xe, and N2 in the spectral region 2800–1700 A, with special reference to the 2100‐ and to the 1850‐A transitions. Our main results are:(a) On the basis of the observed vibrational structure the second excited singlet state of the benzene molecule is assigned to the 1A1g → 1B1u rather than to the 1A1g → 1E2g excitation.(b) Theoretical calculations of the dynamic electronic–vibrational coupling between the 1B1u and the 1E1u states support the 1B1u assignment of the 2100‐A transition.(c) The vibrational structure of the 1850‐A 1A1g → 1E1u transition was resolved.(d) No experimental evidence for Jahn–Teller coupling in the π → π* 1E1u state was observed, in agreement with theoretical analysis.(e) Information on site splittings for the higher π → π* excitation of benzene in rare‐gas solids has accumulated.(f) Analysis of matrix shifts for the 1A1g → 1B1u and 1A1g → 1E1u t... |
| Databáze: | OpenAIRE |
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