X¨CH¡¤¡¤¡¤Y (X, Y?=?N, O) Hydrogen Bonds: A New Bond Valence Sum Analysis

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• 作者：Kamalika Banerjee ; Senjuti De and Dipankar Datta
• 关键词：Hydrogen bonding ; Bond valence ; BVS
• 刊名：Journal of Chemical Crystallography
• 出版年：2007
• 出版时间：October, 2007
• 年：2007
• 卷：37
• 期：10
• 页码：675-677
• 全文大小：150 KB

文摘

For X–H¡¤¡¤¡¤Y hydrogen bonds, a plot of 1/r _X–H versus 1/r _{H¡¤¡¤¡¤Y} is found to be reasonably linear with a negative slope of magnitude less than unity. These observations are explained by using Datta’s bond valence sum model (Naskar JP, Hati S Datta D, Acta Crystallogr B 53, 885, 1997). It is revealed that the donor atom plays a more significant role in X–H¡¤¡¤¡¤Y.