Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7673041 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2013 | 6 Pages |
Abstract
A comparison of crystallography and some spectral parameters with optimized DFT data in its hybrid form B3LYP is used to assign the structures of three copper complexes: [Cu(THEEN)(H2O)](PIC)2 (1), [Cu(THPEN)] (PIC)2 C3H8O (2) and [Cu(TEAH3)(PIC)] (PIC)â
(H2O) (3). Optimized structures are in excellent qualitative agreement with crystal data and spectroscopic data.
Related Topics
Physical Sciences and Engineering
Chemistry
Analytical Chemistry
Authors
Rakesh Kumar, Sangeeta Obrai, Joyee Mitra, Aparna Sharma,