Quantum-Chemical Study of Structure and Isotropic Chemical Shifts in the NMR Spectrum of the Paramagnetic Complex of 1-Vinylimidazole with CuCl2 | Sciact - CRIS-system of Boreskov Institute of Catalysis

Quantum-Chemical Study of Structure and Isotropic Chemical Shifts in the NMR Spectrum of the Paramagnetic Complex of 1-Vinylimidazole with CuCl2 Full article

Journal

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

Output data

Year: 1990, Volume: 26, Number: 2, Pages: 208-212 Pages count : 5 DOI: 10.1007/BF01160506

Tags

Experimental Data; Chemical Shift; CuCl2; Methodological Aspect; Isotropic Chemical Shift

Authors

Danovich D.K. ¹ , Plakhutin B.N. ² , Voronov V.K. ¹

Affiliations

1	Irkutsk Polytechnical Institute
2	Institute for Catalysis, Siberian Branch, USSR Academy of Sciences, Novosibirsk

The INDO UHF method has been applied to the complexes CuCl2L4 (L=1-vinylimidazole, NH3) to calculate the isotropic (Fermi contact) paramagnetic shifts in the1H and13C NMR spectra. The structure of the complexes in solution was elucidated by comparison with experimental data, and some methodological aspects of the calculation have been considered.

Danovich D.K. , Plakhutin B.N. , Voronov V.K.
Quantum-Chemical Study of Structure and Isotropic Chemical Shifts in the NMR Spectrum of the Paramagnetic Complex of 1-Vinylimidazole with CuCl2
Theoretical and Experimental Chemistry. 1990. V.26. N2. P.208-212. DOI: 10.1007/BF01160506 Scopus РИНЦ OpenAlex

Данович Д.К. , Плахутин Б.Н. , Воронов В.К.
Квантовохимическое исследование строения и изотропных химических сдвигов в спектре ЯМР парамагнитного комплекса 1-винилимидазола с CuCl2
Теоретическая и экспериментальная химия. 1990. Т.26. №2. С.225-229. WOS РИНЦ ANCAN

Submitted:	May 30, 1988
Published print:	Mar 1, 1990

Scopus:	2-s2.0-84951603254
Elibrary:	30658793
OpenAlex:	W2038602690

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