Structures and charge distributions in alkoxide ions

作者: Kenneth B. Wiberg

DOI: 10.1021/JA00165A019

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摘要: The structures of methoxide ion, ethoxide tert-butoxide fluoromethoxide and trifluoromethoxide ion were obtained via geometry optimizations with the 6-31G* 6-311++G** basis sets. In all cases, carbon-oxygen bond shortened about 0.1 A on going from alcohol to alkoxide whereas bonds attached carbon increased in length. origin changes lengths was studied use Bader's theory atoms molecules

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