Ab initio study on far-infrared spectra of dihalodiammine complexes of Palladium(II) and Platinum(II)

L. Zhang; H. Wei; Y. Zhang; Z. Guo; L. Zhu

doi:10.1016/S1386-1425(01)00539-X

Ab initio study on far-infrared spectra of dihalodiammine complexes of Palladium(II) and Platinum(II)

L. Zhang
, H. Wei
, Y. Zhang
, Z. Guo
, L. Zhu

Department of Chemistry and Chemical Biology

Nanjing University

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The far-infrared spectra of dihalodiammine complexes of Pd(II) and Pt(II) are calculated using ab initio method at RHF/LANL2DZ level. The calculated vibrational frequencies are in good agreement with the experimental ones except for M-N stretching frequencies in cis-M(NH₃)₂X₂ complexes, and the reason for the deviation is discussed.

Original language	English
Pages (from-to)	217-223
Number of pages	7
Journal	Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
Volume	58
Issue number	2
DOIs	https://doi.org/10.1016/S1386-1425(01)00539-X
State	Published - 15 Jan 2002

Keywords

Ab initio
Configuration
Intermolecular interaction
Pd(II) and Pt(II) complexes
Vibrational frequencies

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10.1016/S1386-1425(01)00539-X

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abstract = "The far-infrared spectra of dihalodiammine complexes of Pd(II) and Pt(II) are calculated using ab initio method at RHF/LANL2DZ level. The calculated vibrational frequencies are in good agreement with the experimental ones except for M-N stretching frequencies in cis-M(NH3)2X2 complexes, and the reason for the deviation is discussed.",

keywords = "Ab initio, Configuration, Intermolecular interaction, Pd(II) and Pt(II) complexes, Vibrational frequencies",

author = "L. Zhang and H. Wei and Y. Zhang and Z. Guo and L. Zhu",

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T1 - Ab initio study on far-infrared spectra of dihalodiammine complexes of Palladium(II) and Platinum(II)

AU - Zhang, L.

AU - Wei, H.

AU - Zhang, Y.

AU - Guo, Z.

AU - Zhu, L.

PY - 2002/1/15

Y1 - 2002/1/15

N2 - The far-infrared spectra of dihalodiammine complexes of Pd(II) and Pt(II) are calculated using ab initio method at RHF/LANL2DZ level. The calculated vibrational frequencies are in good agreement with the experimental ones except for M-N stretching frequencies in cis-M(NH3)2X2 complexes, and the reason for the deviation is discussed.

AB - The far-infrared spectra of dihalodiammine complexes of Pd(II) and Pt(II) are calculated using ab initio method at RHF/LANL2DZ level. The calculated vibrational frequencies are in good agreement with the experimental ones except for M-N stretching frequencies in cis-M(NH3)2X2 complexes, and the reason for the deviation is discussed.

KW - Ab initio

KW - Configuration

KW - Intermolecular interaction

KW - Pd(II) and Pt(II) complexes

KW - Vibrational frequencies

UR - https://www.scopus.com/pages/publications/0037079552

UR - https://www.scopus.com/pages/publications/0037079552#tab=citedBy

U2 - 10.1016/S1386-1425(01)00539-X

DO - 10.1016/S1386-1425(01)00539-X

M3 - Article

C2 - 11808727

AN - SCOPUS:0037079552

SN - 1386-1425

VL - 58

SP - 217

EP - 223

JO - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

JF - Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

IS - 2

ER -

Ab initio study on far-infrared spectra of dihalodiammine complexes of Palladium(II) and Platinum(II)

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Keywords

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