An experimental and theoretical study of the Cp2VO2CO : use of 13CO3(2-) for structure investigation of d1-metallocene complexes
Copyright 2004 John Wiley & Sons, Ltd.
| Publié dans: | Magnetic resonance in chemistry : MRC. - 1985. - 42(2004), 10 vom: Okt., Seite 870-4 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article |
| Langue: | English |
| Publié: |
2004
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| Accès à la collection: | Magnetic resonance in chemistry : MRC |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't Carbon Isotopes Carbonates Organometallic Compounds Vanadium Compounds metallocene vanadocene dichloride 4W2E0IDO21 |
| Résumé: | Copyright 2004 John Wiley & Sons, Ltd. EPR study has shown that the anticancer agent vanadocene dichloride (Cp2VCl2) interacts with carbonate contained in physiological solutions. Chelate complex Cp2VO2CO (|A(iso)(51V)| = 175.1 MHz, g(iso) = 1.9861) is the only paramagnetic species formed in the range about the physiological pH (5.5-11.0). The super-hyperfine coupling (|a(iso)(13C)| = 24.1 MHz) was evidenced at measurements using 13C labelled carbonate. The structure of carbonate complex was validated by comparison of observed and theoretical calculated HFC tensors (at the density functional level of theory) |
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| Description: | Date Completed 17.03.2005 Date Revised 16.11.2017 published: Print Citation Status MEDLINE |
| ISSN: | 0749-1581 |