VIBRATIONAL SPECTRA AND NORMAL COORDINATE ANALYSIS OF 1,2-BIS(2-FORMYLGLYCINEBENZENESULFENYL) ETHANE Pd(II) DICHLORIDE COMPLEX

The normal coordinate analysis of the title complex, 1,2-bis(2-formylglycinebenzenesulfenyl) ethane Pd(II) dichloride has been carried out by using the Urey-Bradley force field. According to the molecular structure determined by x-ray crystallographic analysis, 182 internal coordinates were establis...

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Bibliographic Details
Published inSpectroscopy letters Vol. 34; no. 5; pp. 647 - 663
Main Authors Zhang, Yu, Hang, Wei, Zhou, Shaozhen, Li, Chongde, Zhu, Longgen
Format Journal Article
LanguageEnglish
Published Taylor & Francis Group 31.10.2001
Subjects
FIR
IR spectra
Normal coordinate analysis
Raman
Vibrational assignment
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Summary:The normal coordinate analysis of the title complex, 1,2-bis(2-formylglycinebenzenesulfenyl) ethane Pd(II) dichloride has been carried out by using the Urey-Bradley force field. According to the molecular structure determined by x-ray crystallographic analysis, 182 internal coordinates were established and 112 theoretical vibration frequencies agree well with the observed values with the average difference of 2.53 cm −1 and the maximum deviation of 16.0 cm −1 .
ISSN:0038-7010
1532-2289
DOI:10.1081/SL-100106878