XES and Quantum Chemical Investigation of the Electronic Structure of Phthalocyanine Complexes MPcH16 and MPcF16 with M = Cu, Co Full article
Journal |
Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779 |
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Output data | Year: 2011, Volume: 52, Number: Supplement, Pages: S21-S35 Pages count : 15 DOI: 10.1134/S0022476611070031 | ||||||
Tags | phthalocyanines, X-ray emission spectroscopy, density functional method, photoelectron spectroscopy | ||||||
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Abstract:
The X-ray spectroscopy and X-ray electron study of the electronic structure of unsubstituted phthalocyanines MPcH16 and hexadecafluorophthalocyanines MPcF16 with M = Cu, Co is reported. Quantum-chemical calculation of the electronic structure of these compounds was performed. The calculation was used to analyze the metal-ligand electronic interaction in the complexes. The theoretically calculated energy position and composition of the highest occupied molecular orbitals were compared with experimental data obtained from X-ray fluorescence spectra.
Cite:
Semushkina G.I.
, Mazalov L.N.
, Kryuchkova N.A.
, Boronin A.I.
, Gulyaev R.V.
, Basova T.V.
, Plyashkevich V.A.
XES and Quantum Chemical Investigation of the Electronic Structure of Phthalocyanine Complexes MPcH16 and MPcF16 with M = Cu, Co
Journal of Structural Chemistry. 2011. V.52. NSupplement. P.S21-S35. DOI: 10.1134/S0022476611070031 РИНЦ
XES and Quantum Chemical Investigation of the Electronic Structure of Phthalocyanine Complexes MPcH16 and MPcF16 with M = Cu, Co
Journal of Structural Chemistry. 2011. V.52. NSupplement. P.S21-S35. DOI: 10.1134/S0022476611070031 РИНЦ
ArticleLinkType.TRANSLATED_TO_ORIGINAL:
Семушкина Г.И.
, Мазалов Л.Н.
, Крючкова Н.А.
, Боронин А.И.
, Гуляев Р.В.
, Басова Т.В.
, Пляшкевич В.А.
Рентгеноспектральное и квантово-химическое изучение особенностей электронной структуры комплексов фталоцианинов МPcH16 и МPcF16, где М = Сu, Co
Журнал структурной химии. 2011. Т.52. №7. С.S27-S39. RSCI РИНЦ
Рентгеноспектральное и квантово-химическое изучение особенностей электронной структуры комплексов фталоцианинов МPcH16 и МPcF16, где М = Сu, Co
Журнал структурной химии. 2011. Т.52. №7. С.S27-S39. RSCI РИНЦ
Dates:
Submitted: | Nov 25, 2010 |
Published print: | Dec 1, 2011 |
Published online: | Jan 28, 2012 |
Identifiers:
Elibrary | 19136932 |
Chemical Abstracts | 2012:137124 |
Chemical Abstracts (print) | 158:228817 |
OpenAlex | W1982161588 |