35/37Cl NMR Chemical Shifts and Nuclear Quadrupole Couplings for Some Small Chlorine Compounds: Experimental and Theoretical Study Full article
Journal |
Chemical Physics Letters
ISSN: 0009-2614 , E-ISSN: 1873-4448 |
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Output data | Year: 1996, Volume: 258, Number: 3-4, Pages: 330-335 Pages count : 6 DOI: 10.1016/0009-2614(96)00662-8 | ||||||
Tags | Density-functional theory; Atoms; Complexes; Molecules; Tensor | ||||||
Authors |
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Affiliations |
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Funding (2)
1 | Slovenská akadémia vied | 2/1172/96 |
2 | Alexander von Humboldt Foundation |
Abstract:
An experimental study and quantum-chemical density functional theory calculations of 35/37Cl NMR chemical shifts and nuclear quadrupole couplings for some small chlorine compounds were performed. The experimental and theoretical data are in good agreement. The results clearly demonstrate that high field chlorine NMR can be used for identification of small chloride molecules. Solvent effects on chlorine chemical shifts are estimated.
Cite:
Fedotov M.A.
, Malkina O.L.
, Malkin V.G.
35/37Cl NMR Chemical Shifts and Nuclear Quadrupole Couplings for Some Small Chlorine Compounds: Experimental and Theoretical Study
Chemical Physics Letters. 1996. V.258. N3-4. P.330-335. DOI: 10.1016/0009-2614(96)00662-8 WOS Scopus РИНЦ
35/37Cl NMR Chemical Shifts and Nuclear Quadrupole Couplings for Some Small Chlorine Compounds: Experimental and Theoretical Study
Chemical Physics Letters. 1996. V.258. N3-4. P.330-335. DOI: 10.1016/0009-2614(96)00662-8 WOS Scopus РИНЦ
Dates:
Submitted: | May 9, 1996 |
Published print: | Aug 16, 1996 |
Published online: | Dec 9, 1998 |
Identifiers:
Web of science | WOS:A1996VC07100002 |
Scopus | 2-s2.0-0030590178 |
Elibrary | 13227518 |
Chemical Abstracts | 1996:495265 |
Chemical Abstracts (print) | 125:156723 |
OpenAlex | W2090422497 |