Substituent effects on the structure of [Ag(py-R)n](NO3) ionic pairs: structural and computational studies

Abstract

Dissolution of AgNO3 in liquid pyridines (py-R) results in formation of [Ag(py-R)n](NO3) (n = 2, 3) complexes of different nature. Six complexes with py-R = pyridine (py), 2-methylpyridine (2-Mepy), 3-methylpyridine (3-Mepy), 4-methylpyridine (4-Mepy), 3,5-dimethylpyridine (3,5-Me2py), 3-bromopyridine (3-Brpy) have been prepared and characterized by single crystal X-ray diffraction (SCXRD). The diffraction experiments were performed for i) crystals directly isolated from the mother liquor and ii) crystals of bulk samples stored after the air-drying. The collected data show polymorphism or pyridine loss from [Ag(py-R)3](NO3) during the storage of bulk samples. The energies of Ag-N bonding inside the ionic pairs have been estimated by quantum-chemical calculations.