Complete vibrational spectrum of NiCO isolated in solid argon

被引：44

作者：

Joly, HA

Manceron, L ^{[1
]}

机构：

[1] Univ Paris 06, CNRS, URA 508, Lab Spectrochim Mol, F-75252 Paris 05, France

[2] Laurentian Univ, Dept Chem & Biochem, Sudbury, ON P3E 2C6, Canada

来源：

CHEMICAL PHYSICS | 1998年 / 226卷 / 1-2期

关键词：

D O I：

10.1016/S0301-0104(97)00312-1

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：

The infrared spectrum of NiCO isolated in solid argon has been reinvestigated. Isotopic data on nu(1), nu(2), nu(3), 2 nu(1), nu(1), nu(2) and nu(1) + nu(3) have been measured in the near-and far-infrared regions. This enables a complete harmonic force-field calculation based on the assumption of a linear geometry. Comparisons with bond force constants of Ni(CO)(4) and the latest ab initio predictions of the NiCO vibrational frequencies are also presented. (C) 1998 Elsevier Science B.V.

引用

页码：61 / 70

页数：10

共 31 条

[1] A hybrid density functional study of the first-row transition-metal monocarbonyls
Adamo, C
Lelj, F
[J]. JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (24) : 10605 - 10613
[2] VALIDATION OF SELF-CONSISTENT HYBRID APPROACHES FOR THE STUDY OF TRANSITION-METAL COMPLEXES - NICO AND CUCO AS CASE-STUDIES
BARONE, V
[J]. CHEMICAL PHYSICS LETTERS, 1995, 233 (1-2) : 129 - 133
[3] ON THE INTERPRETATION OF THE PHOTOELECTRON-SPECTRUM OF NICO-
BAUSCHLICHER, CW
BARNES, LA
LANGHOFF, SR
[J]. CHEMICAL PHYSICS LETTERS, 1988, 151 (4-5) : 391 - 396
[4] THE NATURE OF THE BONDING IN FECO,NICO, AND CUCO
BAUSCHLICHER, CW
BAGUS, PS
NELIN, CJ
ROOS, BO
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (01) : 354 - 364
[5] BONDING IN ZEROVALENT NI COMPOUNDS - NIN2 AND NI(N2)4 COMPARED WITH NICO AND NI(CO)4
BAUSCHLICHER, CW
LANGHOFF, SR
BARNES, LA
[J]. CHEMICAL PHYSICS, 1989, 129 (03) : 431 - 437
[6] ON THE SIMILARITY AND DIFFERENCES FOR N-2 AND CO ON NI
BAUSCHLICHER, CW
[J]. CHEMICAL PHYSICS LETTERS, 1985, 115 (4-5) : 387 - 391
[7] TRANSITION-METAL LIGAND BONDING .2.
BAUSCHLICHER, CW
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (01) : 260 - 267
[8] THE VIBRATIONAL FREQUENCIES, THE DISSOCIATION-ENERGY, AND THE ELECTRON-AFFINITY OF NICKEL CARBONYL
BLOMBERG, M
BRANDEMARK, U
JOHANSSON, J
SIEGBAHN, P
WENNERBERG, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) : 4324 - 4333
[9] BINDING-ENERGIES AND BOND DISTANCES OF NI(CO)X, X=1-4 - AN APPLICATION OF COUPLED-CLUSTER THEORY
BLOMBERG, MRA
SIEGBAHN, PEM
LEE, TJ
RENDELL, AP
RICE, JE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (08) : 5898 - 5905
[10] INTERACTION BETWEEN NICKEL AND THE LIGAND GROUPS CARBONYL, WATER, AND PHOSPHINE
BLOMBERG, MRA
BRANDEMARK, UB
SIEGBAHN, PEM
MATHISEN, KB
KARLSTROM, G
[J]. JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (11) : 2171 - 2180

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