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- Title
Structures and Spectral Study of Two Binuclear Cd(II) Complexes Based on 4-Nitro-1,2-Benzenedicarboxylic Acid.
- Authors
Huang, Y.-J.; Wang, J.-J.; Zheng, Y.-Q.; Zhu, H.-L.; Zhu, X.-L.
- Abstract
Two new 4-nitro-1,2-benzenedicarboxylate-bridged Cd(II) coordination polymers Cd(phen)(NPTA) 1 and Cd(im)2(NPTA)·H2O 2 (H2NPTA = 4-nitro-1,2-benzenedicarboxylic acid, phen = 1,10-phenanthroline, im = iminazole) are synthesized. Density functional theory (DFT) and time-dependent density functional theory (TDDFT) computations are carried out to study the vibrational frequencies and electronic properties. The results are in compliance with the experimentally obtained structural and spectral data.
- Subjects
CADMIUM isotopes; PHTHALIC acid; METAL complexes; COORDINATION polymers; PHENANTHROLINE derivatives
- Publication
Journal of Structural Chemistry, 2018, Vol 59, Issue 4, p936
- ISSN
0022-4766
- Publication type
Article
- DOI
10.1134/S0022476618040273