Fine Structure of the X-ray Spectra of Molecules K-Absorption Spectra of the CO and N2 Molecules | Sciact - CRIS-system of Boreskov Institute of Catalysis

Fine Structure of the X-ray Spectra of Molecules K-Absorption Spectra of the CO and N2 Molecules Full article

Journal

Journal of Structural Chemistry
ISSN: 0022-4766 , E-ISSN: 1573-8779

Output data

Year: 1977, Volume: 18, Number: 3, Pages: 437-452 Pages count : 16 DOI: 10.1007/bf00753090

Tags

Physical Chemistry; Inorganic Chemistry; Fine Structure

Authors

Kondratenko A.V. ¹ , Mazalov L.N. ¹ , Gel'mukhanov F.Kh. ¹ , Avdeev V.I. ¹ , Saprykhina E.A. ¹

Affiliations

1	Institute of Inorganic Chemistry, Academy of Sciences of the USSR, Siberian Branch

A new interpretation has been given for the x-ray absorption spectra of the CO and N 2 molecules based on the ab initio calculations within the framework of the restricted Hartree--Fock method using the program IBMOL-5 and the ionic model Z B + 1. For all the spectra, the vibrational fine structure of the transition into the first vacant antibonding MO (27r for CO and lIIg for N2) has been calculated using the reduced Koopmans theorem. The Hartree--Fock data, and the ionic model Z B + 1. It has been shown that the vibrational fine structure of the final x-ray excited state is revealed in the first Rydberg transitions of the CK spectrum of CO and the K spectrum of N 2 (recorded by Nakamura and co-workers).

Kondratenko A.V. , Mazalov L.N. , Gel'mukhanov F.K. , Avdeev V.I. , Saprykhina E.A.
Fine Structure of the X-ray Spectra of Molecules K-Absorption Spectra of the CO and N2 Molecules
Journal of Structural Chemistry. 1977. V.18. N3. P.437-452. DOI: 10.1007/bf00753090 WOS Scopus РИНЦ OpenAlex

Кондратенко А.В. , Мазалов Л.Н. , Гельмуханов Ф.Х. , Авдеев В.И. , Сапрыкина Е.А.
Тонкая структура рентгеновских спектров молекул. K-спектры поглощения молекул СО и N2
Журнал структурной химии. 1977. Т.18. №3. С.546-564. РИНЦ ANCAN

Submitted:	Jan 7, 1977
Published print:	May 1, 1977

Web of science:	WOS:A1977EM27800008
Scopus:	2-s2.0-34250283171
Elibrary:	31393682
OpenAlex:	W2071917940

DB	Citing
Web of science	5
Scopus	5
OpenAlex	9