Force field and 13C-NMR investigations of substituted cyclopentanes. A concept for the adaption of 13C NMR shifts to varying torsional arrangements in flexible …
HJ Schneider, N Nguyen-Ba, F Thomas
文献索引：Schneider,H.J.; Nguyen-Ba,N.; Thomas,F. Tetrahedron, 1982 , vol. 38, p. 2327
MM2 Exploration of the conformational space for methylcyclopentane, in contrast to cyclopentanone yields more and flatter minima than known previously. Calculations of cyclopentanes with substituents X= F, Cl, CHMe2, and CMe3 with two stable conformations indicate< 2° torsional angle changes with the different substituents. Cyclopentanes bearing not more than 2 substituents can accommodate all groups in pseudoequatorial positions ...
