MARKED EFFECTS OF RING SIZE ON THE CORRELATED ROTATION OF THE CYCLOALKYL GROUPS OF 1,1-DICYCLOALKYLMETHYLENECYCLOALKANES
作者:Ken’ichi Takeuchi、Tetsuo Toyama、Yasuhiro Kubota、Kunio Okamoto
DOI:10.1246/cl.1983.1631
日期:1983.10.5
Correlated rotation of the cycloalkyl groups has been observed by 13C NMR for the title compounds containing six-, seven-, or eight-membered rings. The ΔH≠ value increases with the increase in the ring size, attaining 79.5 ± 2.1 kJ mol−1 when all the three rings are eight-membered. Molecular mechanics calculations indicated that the magnitude of internal angles is a major contributing factor.
对于含有六元、七元或八元环的标题化合物,已通过 13C NMR 观察到环烷基的相关旋转。ΔH≠ 值随着环尺寸的增加而增加,当三个环均为八元时达到 79.5 ± 2.1 kJ mol-1。分子力学计算表明内角的大小是一个主要的影响因素。