Subtle differences in the hydrogen bonding of alcohol to divalent oxygen and sulfur

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• 作者：Lin Du^a ; Shanshan Tang^a ; Anne S. Hansen^b ; Benjamin N. Frandsen^b ; Zeina Maroun^b ; Henrik G. Kjaergaard^b ; ^{hgk@chem.ku.dk}
• 刊名：Chemical Physics Letters
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：667
• 期：Complete
• 页码：146-153
• 全文大小：756 K
• 卷排序：667

文摘

FTIR spectra of alcohol-dimethyl ether and alcohol-dimethyl sulfide complexes. Similar experimental redshift suggest binding to O and S is very similar. For TFE, the equilibrium constant is larger to O than to S, despite same red shift. Small differences become apparent when donor is strong. NBO and topological AIM and NCI analyses show different preferences.