The effect of vibrational perturbation on the vibronic structure in Jahn-Teller active states

J. Itah; B. Katz; B. Scharf

doi:10.1016/0009-2614(77)85127-0

The effect of vibrational perturbation on the vibronic structure in Jahn-Teller active states

J. Itah, B. Katz, B. Scharf

Department of Chemistry

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Abstract

The vibronic structure superimposed on the benzene Rydberg transition corresponding to 3e_1u(r) → 3s(a_1g) excitation at 11 eV has been studied spectroscopically. The revealed structure is interpreted in terms of two Rydberg systems deriving from 3e_2g(σ) → 6p(e_1u) and 3e_2g(σ) → 6f(b_1u, b_2u, e_1u, e_2u) which fit respectively the δ = 0.47 and δ = 0.3 Rydberg series converging to the second ionization limit. In n = 6; δ = 0.3 the pure electronic band as well as the 0-1 band corresponding to ν₂(a_1g) split upon reducing the vibrational symmetry to D_2h by suitable deuterations whereas no such splitting was detected on the 0-1 band corresponding to the Jahn-Teller active mode ν₁₈(e_2g). The same pattern is revealed in n = 4 of the same Rydberg series. This pattern is accounted for theoretically.

Original language	English
Pages (from-to)	92-97
Number of pages	6
Journal	Chemical Physics Letters
Volume	52
Issue number	1
DOIs	https://doi.org/10.1016/0009-2614(77)85127-0
State	Published - 15 Nov 1977

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "The effect of vibrational perturbation on the vibronic structure in Jahn-Teller active states",

abstract = "The vibronic structure superimposed on the benzene Rydberg transition corresponding to 3e1u(r) → 3s(a1g) excitation at 11 eV has been studied spectroscopically. The revealed structure is interpreted in terms of two Rydberg systems deriving from 3e2g(σ) → 6p(e1u) and 3e2g(σ) → 6f(b1u, b2u, e1u, e2u) which fit respectively the δ = 0.47 and δ = 0.3 Rydberg series converging to the second ionization limit. In n = 6; δ = 0.3 the pure electronic band as well as the 0-1 band corresponding to ν2(a1g) split upon reducing the vibrational symmetry to D2h by suitable deuterations whereas no such splitting was detected on the 0-1 band corresponding to the Jahn-Teller active mode ν18(e2g). The same pattern is revealed in n = 4 of the same Rydberg series. This pattern is accounted for theoretically.",

author = "J. Itah and B. Katz and B. Scharf",

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T1 - The effect of vibrational perturbation on the vibronic structure in Jahn-Teller active states

AU - Itah, J.

AU - Katz, B.

AU - Scharf, B.

PY - 1977/11/15

Y1 - 1977/11/15

N2 - The vibronic structure superimposed on the benzene Rydberg transition corresponding to 3e1u(r) → 3s(a1g) excitation at 11 eV has been studied spectroscopically. The revealed structure is interpreted in terms of two Rydberg systems deriving from 3e2g(σ) → 6p(e1u) and 3e2g(σ) → 6f(b1u, b2u, e1u, e2u) which fit respectively the δ = 0.47 and δ = 0.3 Rydberg series converging to the second ionization limit. In n = 6; δ = 0.3 the pure electronic band as well as the 0-1 band corresponding to ν2(a1g) split upon reducing the vibrational symmetry to D2h by suitable deuterations whereas no such splitting was detected on the 0-1 band corresponding to the Jahn-Teller active mode ν18(e2g). The same pattern is revealed in n = 4 of the same Rydberg series. This pattern is accounted for theoretically.

AB - The vibronic structure superimposed on the benzene Rydberg transition corresponding to 3e1u(r) → 3s(a1g) excitation at 11 eV has been studied spectroscopically. The revealed structure is interpreted in terms of two Rydberg systems deriving from 3e2g(σ) → 6p(e1u) and 3e2g(σ) → 6f(b1u, b2u, e1u, e2u) which fit respectively the δ = 0.47 and δ = 0.3 Rydberg series converging to the second ionization limit. In n = 6; δ = 0.3 the pure electronic band as well as the 0-1 band corresponding to ν2(a1g) split upon reducing the vibrational symmetry to D2h by suitable deuterations whereas no such splitting was detected on the 0-1 band corresponding to the Jahn-Teller active mode ν18(e2g). The same pattern is revealed in n = 4 of the same Rydberg series. This pattern is accounted for theoretically.

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The effect of vibrational perturbation on the vibronic structure in Jahn-Teller active states

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