Small nickel clusters: Two low-lying Ni3 states

被引：5

作者：

Davlyatshin, D. I. ^{[1
]}

Serebrennikov, L. V. ^{[1
]}

Golovkin, A. V. ^{[1
]}

机构：

[1] Moscow MV Lomonosov State Univ, Fac Chem, Moscow, Russia

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A | 2009年 / 83卷 / 12期

基金：

俄罗斯基础研究基金会;

关键词：

IR MATRIX-ISOLATION; ABSORPTION-SPECTRA; ARGON MATRICES;

D O I：

10.1134/S0036024409120152

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：

Matrix isolation IR spectroscopy and quantum-chemical calculations were jointly used to identify the system of bands related to Ni-3 clusters. The positions of two low-lying electronic states were determined, and vibrational frequencies and geometry in the ground and excited states were estimated. In all the calculated states, Ni-3 had the structure of an isosceles triangle. In the X (3) B (2) ground and a (3) B (1) lower excited states, this was an acute-angled triangle. In the b (3) B (2) and c (3) B (1) excited states, the triangle was obtuse-angled.

引用

页码：2087 / 2094

页数：8

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