DOI: 10.1063/1.430984. Interpretation of c i s-hexatriene absorption spectrum. The Duschinsky effect

Interpretation of c i s-hexatriene absorption spectrum. The Duschinsky effect

10.1063/1.430984

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

The differences between the uv absorption spectra of trans- and cis-hexatriene are interpreted in terms of the coupling between the ground state normal modes in the electronic excited state, i.e., the Duschinsky effect. The model Hamiltonian is derived and its eigenvalues and eigenvectors are found by means of the standard perturbation theory. The spectra of both molecules are simulated at the computer. A good agreement with experiment is found. Some approximations involved are discussed and the possibilities of further experimental verification are pointed out.

Bibliography

Petelenz, P., & Petelenz, B. (1975). Interpretation of c i s-hexatriene absorption spectrum. The Duschinsky effect. The Journal of Chemical Physics, 62(9), 3482â3487.

Authors 2

Piotr Petelenz (first)
Barbara Petelenz (additional)

References 11 Referenced 8

10.1063/1.1679637 / J. Chem. Phys. (1973)
10.3891/acta.chem.scand.22-2294 / Acta Chem. Scand. (1968)
10.1007/BF01045574 / Theoret. Chim. Acta (1967)
{'key': '2024020912595671600_r3a'}
{'key': '2024020912595671600_r4'}
10.1021/ja00878a009 / J. Am. Chem. Soc. (1962)
{'key': '2024020912595671600_r6', 'first-page': '551', 'volume': '1', 'year': '1937', 'journal-title': 'Acta Physicochim. URSS'} / Acta Physicochim. URSS (1937)
10.1039/tf9686401165 / Trans. Faraday Soc. (1968)
10.1088/0022-3700/2/1/301 / J. Phys. B (1969)
10.1016/0009-2614(73)80126-5 / Chem. Phys. Lett. (1973)
10.1016/0009-2614(72)80311-7 / Chem. Phys. Lett. (1972)

Dates

Type	When
Created	22 years, 6 months ago (Feb. 27, 2003, 4:56 p.m.)
Deposited	1 year, 6 months ago (Feb. 9, 2024, 8:50 a.m.)
Indexed	1 year, 6 months ago (Feb. 9, 2024, 10:20 p.m.)
Issued	50 years, 4 months ago (May 1, 1975)
Published	50 years, 4 months ago (May 1, 1975)
Published Print	50 years, 4 months ago (May 1, 1975)

Funders 0

None

BibTeX

@article{Petelenz_1975, title={Interpretation of c i s-hexatriene absorption spectrum. The Duschinsky effect}, volume={62}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.430984}, DOI={10.1063/1.430984}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Petelenz, Piotr and Petelenz, Barbara}, year={1975}, month=may, pages={3482–3487} }

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