Structural, IR, and EPR studies of the bis(methoxyacetato) diaquo-copper(II) complex

Alimohammadi, Z., Rahemi, H., Golzan, M., Tayyari, S. F. and Riley, Mark J. (2009) Structural, IR, and EPR studies of the bis(methoxyacetato) diaquo-copper(II) complex. Journal of Molecular Modeling, 15 4: 391-395. doi:10.1007/s00894-008-0413-x


Author Alimohammadi, Z.
Rahemi, H.
Golzan, M.
Tayyari, S. F.
Riley, Mark J.
Title Structural, IR, and EPR studies of the bis(methoxyacetato) diaquo-copper(II) complex
Journal name Journal of Molecular Modeling   Check publisher's open access policy
ISSN 1610-2940
Publication date 2009-04-01
Year available 2009
Sub-type Article (original research)
DOI 10.1007/s00894-008-0413-x
Open Access Status
Volume 15
Issue 4
Start page 391
End page 395
Total pages 5
Place of publication Germany
Publisher Springer
Language eng
Subject C1
030299 Inorganic Chemistry not elsewhere classified
970103 Expanding Knowledge in the Chemical Sciences
Abstract The structure, stability, and the IR, and EPR spectroscopic properties of bis(methoxyacetato)diaquo-copper(II) were studied both experimentally using FT-IR and theoretically using B3LYP/6-31G**, B3LYP/6-311G, BWP91/6-31G** methods. The same approaches were used to calculate the harmonic frequencies and to compare them to the experimental solid state values. The g-tensors are calculated using the NMR/GIAO computational method.
Keyword Bis(methoxyacetato)diaquo-copper(II)
DFT
EPR
IR
Q-Index Code C1
Q-Index Status Confirmed Code
Institutional Status UQ

Document type: Journal Article
Sub-type: Article (original research)
Collections: 2009 Higher Education Research Data Collection
School of Chemistry and Molecular Biosciences
 
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Created: Sat, 28 Mar 2009, 01:12:01 EST by Glenda Chown on behalf of School of Chemistry & Molecular Biosciences