TY - JOUR
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 - http://www.scopus.com/inward/record.url?scp=0037079552&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037079552&partnerID=8YFLogxK
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 -