title: Stereochemistry of cyclopentane derivatives from (2,3)J(CH) dependence on dihedral angle (theta H--C--C--X).
abstract: 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).
authors.affiliation: Departamento de Química, Centro de Ciências Exatas da Universidade Federal do Espirito Santo, Av. Fernando Ferrari 514, 29060-900, Vitória, ES, Brazil. vljuniorqui@gmail.com
authors.forename: Valdemar
authors.initials: V
authors.lastname: Lacerda
authors.forename: Gil V J
authors.initials: GV
authors.lastname: da Silva
authors.forename: Mauricio G
authors.initials: MG
authors.lastname: Constantino
authors.forename: Reginaldo B
authors.initials: RB
authors.lastname: Dos Santos
authors.forename: Eustáquio V R
authors.initials: EV
authors.lastname: de Castro
authors.forename: Renzo C
authors.initials: RC
authors.lastname: Silva
mesh_terms: D002244:Carbon / Q000737:chemistry*; D003198:Computer Simulation; D003517:Cyclopentanes / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods / Q000592:standards*; D008968:Molecular Conformation; D013237:Stereoisomerism
chemical_list: D003517:Cyclopentanes; D002244:Carbon; D006859:Hydrogen