Hydrogen bonding to xenon: A comparison with neon, argon and krypton complexes

被引：11

作者：

Gaszowski, Dawid ^{[1
]}

Ilczyszyn, Marek ^{[1
]}

机构：

[1] Univ Wroclaw, Fac Chem, PL-50383 Wroclaw, Poland

来源：

CHEMICAL PHYSICS LETTERS | 2013年 / 556卷

关键词：

IONIZATION-ENERGY; ANESTHESIA; HARDNESS; SPECTRUM; ANIONS; BRO;

D O I：

10.1016/j.cplett.2012.11.083

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

H-bonding-like interactions between AH acids and Ne, Ar, Kr and Xe are examined by analysis of predicted A-H center dot center dot center dot Rg geometry, energy, A-H stretching vibration (CCSD(T) level) as well as assumed proton affinitiy, pKa, polarizability and chemical hardness of the complex components. The Kr and Xe systems are described as mostly the acid-base contacts and reveal properties of typical H-bonded complexes. These contacts are also influenced by structural factors. Properties of the Ne contacts are qualitatively different. The A-H center dot center dot center dot Xe complexes can be divided into stronger and weaker ones using the Xe-129 chemical shift as the criterion. (C) 2012 Elsevier B. V. All rights reserved.

引用

页码：59 / 64

页数：6

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