ISSN:
0749-1581
Keywords:
NMR Coupling constants
;
TiCH3Cl3 Agostic
;
Chemistry
;
Analytical Chemistry and Spectroscopy
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
Calculations of 2J(HH) and 1J(CH) for CH4, TiCl3CH3, Mn(CO)5CH3 and Zn(CH3)2 as a function of C-H distance and M—C—H angle have been carried out, based on the extended Hückel method. The positive geminal coupling constant found for TiCl3CH3 is shown to be caused by the small Ti—C—H angle, and the results suggest that the sign and magnitude of the geminal coupling constant in methyl groups could be a useful probe of their solution structure.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/mrc.1260250618
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