Large blueshift of the H-Kr stretching frequency of HKrCl upon complexation with N2

被引：64

作者：

Lignell, A ^{[1
]}

Khriachtchev, L ^{[1
]}

Pettersson, M ^{[1
]}

Räsänen, M ^{[1
]}

机构：

[1] Univ Helsinki, Chem Phys Lab, FIN-00014 Helsinki, Finland

来源：

JOURNAL OF CHEMICAL PHYSICS | 2002年 / 117卷 / 03期

关键词：

D O I：

10.1063/1.1491403

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：

Interaction between HKrCl and N-2 is investigated in a low temperature Kr matrix and by using ab initio calculations. Two configurations of the HKrCl...N-2 complex are found both computationally and experimentally. The complexes show large monomer-to-complex blueshifts (+112.9 and +32.4 cm(-1) experimentally) of the H-Kr stretching vibration mode. The large blueshifts are attributed to the enhanced (HKr)Cl-+(-) ion-pair character of complexed HKrCl resulting in stronger H-Kr covalent bonding. (C) 2002 American Institute of Physics.

引用

页码：961 / 964

页数：4

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