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气相中的分子识别。苯甲腈与水、氨、甲醇、乙腈以及苯甲腈自身的偶极键合配合物。

Molecular recognition in the gas phase. Dipole-bound complexes of benzonitrile with water, ammonia, methanol, acetonitrile, and benzonitrile itself.

作者信息

Borst David R, Pratt David W, Schäfer Martin

机构信息

Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.

出版信息

Phys Chem Chem Phys. 2007 Aug 28;9(32):4563-71. doi: 10.1039/b705679f. Epub 2007 Jul 12.

Abstract

Described herein are the high resolution fluorescence excitation spectra of 1 : 1 complexes of benzonitrile with water, ammonia, methanol, acetonitrile, and benzonitrile itself in the gas phase. Analyses of these spectra yield the equilibrium geometries of each species in both the ground and excited electronic states, and therefore provide information about the intermolecular interactions that are responsible for holding them together, in the absence of perturbing solvent molecules. In all cases, the determined structure corresponds to the one expected on the basis of interacting dipole moments; in some cases, significant internal motions of one component relative to the other, leading to a time-varying dipole field, also has been observed.

摘要

本文描述了苯甲腈与水、氨、甲醇、乙腈以及苯甲腈自身在气相中1:1配合物的高分辨率荧光激发光谱。对这些光谱的分析得出了每种物质在基态和激发电子态下的平衡几何结构,因此在没有干扰溶剂分子的情况下,提供了有关将它们结合在一起的分子间相互作用的信息。在所有情况下,所确定的结构与基于相互作用偶极矩所预期的结构一致;在某些情况下,还观察到一个组分相对于另一个组分的显著内部运动,导致随时间变化的偶极场。

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