溶剂效应评估：弱取向介质会影响溶质的结构吗？

Assessment of solvent effects: do weak alignment media affect the structure of the solute?

作者信息

Shahkhatuni Astghik A, Shahkhatuni Aleksan G, Panosyan Henry A, Sahakyan Aleksandr B, Byeon In-Ja L, Gronenborn Angela M

机构信息

Molecule Structure Research Center of National Academy of Sciences, Yerevan, 0014, Armenia.

出版信息

Magn Reson Chem. 2007 Jul;45(7):557-63. doi: 10.1002/mrc.2004.

DOI:10.1002/mrc.2004

PMID:17534883

Abstract

Alignment media used for measuring residual dipolar couplings, such as solutions of filamentous phages, phospholipid mixtures, polyacrylamide gels and various lyotropic liquid crystalline systems were investigated with respect to solvent effects on molecular structure. Structural parameters of the small rigid model compound 13C-acetonitrile were calculated from dipolar couplings and variations from expectation values were used for assessment of solvent effects. Only minor solvent effects were observed for most of the media employed and the measured structural data are in good agreement with microwave data and theoretical predictions.

摘要

研究了用于测量残余偶极耦合的取向介质，如丝状噬菌体溶液、磷脂混合物、聚丙烯酰胺凝胶和各种溶致液晶体系，考察了溶剂对分子结构的影响。从小刚性模型化合物13C-乙腈的偶极耦合计算出结构参数，并将与预期值的偏差用于评估溶剂效应。在所使用的大多数介质中仅观察到较小的溶剂效应，并且所测量的结构数据与微波数据和理论预测结果高度吻合。