DOI: 10.1002/pssb.2221120132. Electron–Molecular Vibration Coupling in Trimerized Organic Ion‐Radical Semiconductors

Electron–Molecular Vibration Coupling in Trimerized Organic Ion‐Radical Semiconductors

10.1002/pssb.2221120132

Crossref journal-article

Wiley

physica status solidi (b) (311)

Abstract

AbstractThe totally‐symmetric (ag) internal molecular vibrational excitations in a trimer are considered. The mode corresponding to the charge transfer (CT) between non‐centric molecules is shown to be responsible for the indirect IR activity. The trimer MO calculations in the site occupation representation are simplified and the symmetry of the basis states is taken into account. Eigenstates and eigenvalues of the molecular trimer with two radical electrons are calculated as a function of the transfer integral, t, and the Coulomb „on‐site”︁ repulsion, U. The following interpretation of the absorption spectrum of the cesium salt of tetracyanoquinodimethane Cs2(TCNQ)3 is given: the 1.4 eV peak is attributed to intratrimer charge transfer excitation, the less than 0.6 eV peak corresponds to the electronic transition between neighbouring trimers. The electron–molecular vibration coupling constants and Hubbard parameters U and t are evaluated for Cs2(TCNQ)3.

Bibliography

Yartsev, V. M. (1982). ElectronâMolecular Vibration Coupling in Trimerized Organic IonâRadical Semiconductors. Physica Status Solidi (b), 112(1), 279â287. Portico.

Authors 1

V. M. Yartsev (first)

References 17 Referenced 34

10.1002/pssa.2210120102
10.1016/0038-1098(79)90175-3
10.1103/PhysRevLett.39.1359
10.1103/PhysRevB.21.3437
{'key': 'e_1_2_1_6_2', 'first-page': '513', 'volume': '34', 'author': 'Yartsev V. M.', 'year': '1981', 'journal-title': 'Zh. prikl. Spektroskopii'} / Zh. prikl. Spektroskopii by Yartsev V. M. (1981)
10.1103/PhysRevB.21.5835
{'key': 'e_1_2_1_8_2', 'first-page': '583', 'volume': '11', 'author': 'Lipari N. O.', 'year': '1977', 'journal-title': 'Internat. J. Quantum Chem., Q. C. Symp.'} / Internat. J. Quantum Chem., Q. C. Symp. by Lipari N. O. (1977)
10.1107/S0365110X66002433
10.1107/S0567740872002638
10.1107/S0567740873007387
{'key': 'e_1_2_1_12_2', 'first-page': '107', 'volume': '20', 'author': 'Belousov M. V.', 'year': '1978', 'journal-title': 'Fiz. tverd. Tela'} / Fiz. tverd. Tela by Belousov M. V. (1978)
10.1103/PhysRevB.18.6797
10.1103/PhysRev.157.295
{'key': 'e_1_2_1_15_2', 'volume-title': 'Kvantovo‐mechanicheskie metody rascheta mnogoatomnych molecul', 'author': 'Dudnikova T. A.', 'year': '1973'} / Kvantovo‐mechanicheskie metody rascheta mnogoatomnych molecul by Dudnikova T. A. (1973)
10.1246/bcsj.44.9
V. M.Yartsev Zh. prikl. Spektroskopii to be published.
10.1016/0584-8539(73)80170-9

Dates

Type	When
Created	18 years, 1 month ago (July 10, 2007, 10:03 a.m.)
Deposited	1 year, 9 months ago (Nov. 3, 2023, 10:47 a.m.)
Indexed	1 year, 1 month ago (July 1, 2024, 11:12 a.m.)
Issued	43 years, 1 month ago (July 1, 1982)
Published	43 years, 1 month ago (July 1, 1982)
Published Online	19 years, 6 months ago (Feb. 10, 2006)
Published Print	43 years, 1 month ago (July 1, 1982)

Funders 0

None

BibTeX

@article{Yartsev_1982, title={Electron–Molecular Vibration Coupling in Trimerized Organic Ion‐Radical Semiconductors}, volume={112}, ISSN={1521-3951}, url={http://dx.doi.org/10.1002/pssb.2221120132}, DOI={10.1002/pssb.2221120132}, number={1}, journal={physica status solidi (b)}, publisher={Wiley}, author={Yartsev, V. M.}, year={1982}, month=jul, pages={279–287} }

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