Theoretical Analysis of Magnetic and Electric Hyperfine Interactions on 1H and 2H Nuclei of bis(acetylacetonato) Copper (II) | Sciact - CRIS-system of Boreskov Institute of Catalysis

Theoretical Analysis of Magnetic and Electric Hyperfine Interactions on 1H and 2H Nuclei of bis(acetylacetonato) Copper (II) Full article

Journal

Theoretical and Experimental Chemistry
ISSN: 0040-5760 , E-ISSN: 1573-935X

Output data

Year: 1988, Volume: 24, Number: 2, Pages: 142-147 Pages count : 6 DOI: 10.1007/BF00531186

Tags

Copper; Theoretical Analysis; Acac; Field Gradient; Hyperfine Interaction

Authors

Plakhutin B.N. ¹ , Zhidomirov G.M. ¹

Affiliations

1	Institute of Catalysis, Siberian Branch of the Academy of Sciences of the USSR

The INDO method has been used in calculating the tensors of hyperfine structure and the electric field gradient on the :H and 2H nuclei in Cu(acac)2. The procedure used in calculating the magnetic resonance parameters (MRPs) is based on an accounting for one-center and two-center "Coulomb" integrals of dipole--dipole interaction. The influence of out-of-plane "step" distortion of the complex on the MRPs is examined critically.

Plakhutin B.N. , Zhidomirov G.M.
Theoretical Analysis of Magnetic and Electric Hyperfine Interactions on 1H and 2H Nuclei of bis(acetylacetonato) Copper (II)
Theoretical and Experimental Chemistry. 1988. V.24. N2. P.142-147. DOI: 10.1007/BF00531186 Scopus РИНЦ OpenAlex

Плахутин Б.Н. , Жидомиров Г.М.
Теоретический анализ магнитных и электрических сверхтонких взаимодействий на ядрах 1H и 2H бис-ацетилацетоната меди (II)
Теоретическая и экспериментальная химия. 1988. Т.24. №2. С.149-155. WOS РИНЦ ANCAN

Submitted:	Oct 16, 1986
Published print:	Mar 1, 1988

Scopus:	2-s2.0-34250096261
Elibrary:	30854844
OpenAlex:	W2091377659

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