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.
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