Molecular and electronic structures of the trithiapenthalene antrone and its oxygen and nitrogen analogues by XPS

Trithiapentalene antrone (Iantr), its newly synthesized oxy-(IIantr) and aza-(IIIantr) analogues, and their models were investigated by XPS method for the first time. Quantum-chemical calculations in all-valence (σ-π) approach (INDO/S) were performed. The distribution of the electron density on sulfur, nitrogen, and oxygen atoms was determined. The correlation of calculated charges with binding energies and chemical shifts was found. A new chromophore system was revealed. The electron-donor influence of a pyrrole nitrogen atom on the aromatic π-system was shown. © 2004 Elsevier B.V. All rights reserved.

Authors
Ivanova T.M. 1 , Zaharov S.V.1 , Zaitsev B.E. 2 , Ryabov M.A. 2 , Kovalchoukova O.V. 2
Journal
Journal of Electron Spectroscopy and Related Phenomena
Number of issue
SPEC. ISS.
Language
English
Pages
457-462
Status
Published
DOI
10.1016/j.elspec.2004.02.068
Volume
137-140
Year
2004
Organizations
  • 1 Kurnakov Inst. of Gen./Inorg. Chem., Russian Academie of Sciences, 31 Leninsky, 119991 Moscow, Russian Federation
  • 2 Peoples Friendship Univ. of Russia, 6 Miklycho-Maklaya St., 117923, Moscow, Russian Federation
Keywords
Structure; Trithiapentalene antrone; XPS
Date of creation
19.10.2018
Date of change
19.10.2018
Short link
https://repository.rudn.ru/en/records/article/record/3628/
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