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XES and Quantum Chemical Investigation of the Electronic Structure of Phthalocyanine Complexes MPcH16 and MPcF16 with M = Cu, Co Full article

Общее Language: Английский, Genre: Full article,
Status: Published, Source type: Translated
Journal Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779
Output data Year: 2011, Volume: 52, Number: Supplement, Pages: S21-S35 Pages count : 15 DOI: 10.1134/S0022476611070031
Authors Semushkina G.I. 1 , Mazalov L.N. 1,3 , Kryuchkova N.A. 1,3 , Boronin A.I. 2,3 , Gulyaev R.V. 2 , Basova T.V. 1 , Plyashkevich V.A. 1
Affiliations
1 Nikolaev Institute of Inorganic Chemistry SB RAS
2 Boreskov Institute of Catalysis SB RAS
3 Novosibirsk State University

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 publication_identifier_short.rinz_identifier_type
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. publication_identifier_short.rsci_identifier_type publication_identifier_short.rinz_identifier_type
Dates:
Submitted: Nov 25, 2010
Published print: Dec 1, 2011
Published online: Jan 28, 2012
Identifiers:
publication_identifier.rinz_identifier_type 19136932
publication_identifier.accession_number_identifier_type 2012:137124
publication_identifier.chemical_accession_number_identifier_type 158:228817
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