Syntheses, Spectroscopy and Calculated Second-Order Nonlinear Optical Properties of a New Series of Square-Pyramidal Substituted Phenylthiourea Zinc(II) Complexes
Titel:
Syntheses, Spectroscopy and Calculated Second-Order Nonlinear Optical Properties of a New Series of Square-Pyramidal Substituted Phenylthiourea Zinc(II) Complexes
Auteur:
Ren, Peng Liu, Tao Qin, Jingui Chen, Chuangtian
Verschenen in:
Journal of coordination chemistry
Paginering:
Jaargang 56 (2003) nr. 10 pagina's 885-893
Jaar:
2003-07-01
Inhoud:
A new series of square-pyramidal coordination compounds L·Zn(acac)2 (acac = acetylacetonate; L is a variety of substituted phenylthioureas: p-N,N '-dimethylaminophenylthiourea 1, p-methoxy-phenylthiourea 2, p-nitrophenylthiourea 3, p-acetylphenylthiourea 4) have been synthesized and characterized by 1H NMR and IR spectra and elemental analysis. Most of these compounds exhibit wide transparent ranges in the visible region. Their electronic spectra have been studied experimentally, and theoretically by ZINDO/S calculation. The MOPAC software package has been used to evaluate their first-order molecular hyperpolarizabilities (β). All β values of the four coordination compounds are greater than or equal to those of p-nitroaniline, and are larger than β values of their corresponding substituted phenthylthiourea ligands.