Lacerda Valdemar, da Silva Gil V J, Constantino Mauricio G, Dos Santos Reginaldo B, de Castro Eustáquio V R, Silva Renzo C
Departamento de Química, Centro de Ciências Exatas da Universidade Federal do Espirito Santo, Av. Fernando Ferrari 514, 29060-900, Vitória, ES, Brazil.
Magn Reson Chem. 2008 Mar;46(3):268-73. doi: 10.1002/mrc.2182.
The (2,3)J(CH) dependence on dihedral angle (theta H--C--C--X) for cyclopentane derivatives was investigated. We observed that the combined use of experimentally obtained (2,3)J(CH) values and the theoretically determined dihedral angles between the corresponding nuclei can be used to infer the relative stereochemistry of the ring substituents in cyclopentane derivatives. There is a good correlation between the magnitude of (3)J(CH) and the dihedral angle between the hydrogen and the coupled carbon (R2 = 0.88).
