Synthesis, Crystal Structure, Vibrational Spectroscopy and Theoretical Studies of Catena-Poly [[Silver (I)-µ-Piperazine-Ƙ2 N: N’] Nirate]

Abstract

A novel silver polymer {[Ag(pip)NO3]}n was synthesized and its crystal structure is determined by single crystal X-ray diffraction analyses. The title compound crystallizes in the monoclinic space group P 21/c. Its crystal structure consists of adjacent chains of formula {[Ag(C4N2H10)] + }∞ connected through weak (N,C)−H⸱⸱⸱O interactions into the three-dimensional supramolecular framework. The DFT study is based on B3LYP/LanL2DZ of molecular structure and vibrational spectrum of this compound. Good consistency is found between the calculated and experimental frequencies.