EMAIL THIS PAGE TO A FRIEND

Magnetic resonance in chemistry : MRC

An experimental and theoretical study of the Cp2VO2CO: use of 13CO3(2-) for structure investigation of d1-metallocene complexes.


PMID 15366060

Abstract

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).

Related Materials

Product #

Image

Description

Molecular Formula

Add to Cart

334642
Bis(cyclopentadienyl)vanadium(IV) dichloride, 95%
C10H10Cl2V