Electronic excited states of chromium and vanadium bisarene complexes revisited: interpretation of the absorption spectra on the basis of TD DFT calculations

Author:

Ketkov Sergey1232,Isachenkov Nikolai12,Rychagova Elena1232,Tzeng Wen-Bih456

Affiliation:

1. G.A. Razuvaev Institute of Organometallic Chemistry RAS

2. Nizhny Novgorod 603950, Russian Federation

3. Nizhny Novgorod State University

4. Institute of Atomic and Molecular Sciences

5. Academia Sinica

6. Taipei 10617, Taiwan

Abstract

The influence of the (η6-arene)2M (M = Cr, V, Cr+) composition on parameters of intravalency and Rydberg transitions is explained on the basis of time-dependent DFT.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Reference84 articles.

1. D. M. P. Mingos , in Comprehensive Organometallic Chemistry , ed. G. Wilkinson , F. G. A. Stone and E. W. Abel , Pergamon Press , Oxford , 1982 , vol. 3 , pp. 1–88

2. M. J. Morris , in Comprehensive Organometallic Chemistry II , ed. E. W. Abel , F. G. A. Stone and G. Wilkinson , Pergamon Press , Oxford , 1995 , vol. 5 , pp. 471–549

3. Ch. Elschenbroich Organometallics , 3rd, Completely Revised and Extended Edition , Wiley-VCH , Weinheim , 2011

4. Bis(benzene)chromium. 1. Franz Hein at the University of Leipzig and Harold Zeiss and Minoru Tsutsui at Yale

5. Bis(benzene)chromium. 2. Its Discovery by E. O. Fischer and W. Hafner and Subsequent Work by the Research Groups of E. O. Fischer, H. H. Zeiss, F. Hein, C. Elschenbroich, and Others

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