ON THE BO BOND-LENGTH IN OXADIBORIRANES

被引:16
作者
BUHL, M
SCHAEFER, HF
SCHLEYER, PV
BOESE, R
机构
[1] UNIV GEORGIA,CTR COMPUTAT QUANTUM CHEM,ATHENS,GA 30602
[2] UNIV ERLANGEN NURNBURG,INST ORGAN CHEM,D-91054 ERLANGEN,GERMANY
[3] UNIV GESAMTHSCH ESSEN,INST ANORGAN CHEM,D-45117 ESSEN,GERMANY
来源
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION IN ENGLISH | 1993年 / 32卷 / 08期
关键词
D O I
10.1002/anie.199311541
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The moral of the story: when the experimental results do not agree with those of high-level ab initio calculations, experimentalists are encouraged to consider other possible interpretations. Based on precise calculations on oxadiboriranes 1 a-c, it became clear that for the X-ray structure analysis of 1 d a different refined model than the one originally published provides the ''correct'' structure.
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页码:1154 / 1155
页数:2
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