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Synthesis, Crystal Structure, Theoretical Study, Thermal Behavior, and Luminescence Property of A Bromide‐Bridged Silver(I) Complex with 4, 4′‐Bipyridine
Author(s) -
Chen Aihua,
Meng Suci,
Zhang Jinfang,
Zhang Chi
Publication year - 2014
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201300461
Subject(s) - triclinic crystal system , density functional theory , crystallography , thermogravimetric analysis , luminescence , bipyridine , crystal structure , chemistry , bromide , infrared spectroscopy , 2,2' bipyridine , triphenylphosphine , proton nmr , fluorescence , single crystal , materials science , stereochemistry , inorganic chemistry , computational chemistry , organic chemistry , optoelectronics , physics , quantum mechanics , catalysis
The dinuclear silver(I) complex [{(PPh 3 )Ag(μ 2 ‐Br)} 2 (μ 2 ‐bpy)] n ( 1 ) (PPh 3 = triphenylphosphine, bpy = 4, 4′‐bipyridine) was synthesized and characterized by elemental analysis, 1 H NMR, MS, infrared spectroscopy, X‐ray single crystal analysis, thermogravimetric and fluorescent analysis. The complex crystallizes in the triclinic system with space group P $\bar{1}$ [ a = 9.2012(18) Å, b = 9.6907(19) Å, c = 13.134(3) Å, α = 104.77(3)°, β = 109.41(3)°, γ = 92.57(3)°, V = 1057.2(4) Å 3 , Z = 2]. The central unit of complex 1 consists of a [Ag 2 Br 2 ] core and the Ag ··· Ag distance in the [Ag 2 Br 2 ] core is 3.102(2) Å, supporting the Ag ··· Ag interaction. Complex 1 exhibits an interesting one‐dimensional zigzag chain structure. Density functional theory and time‐dependent density functional theory calculations at the B3LYP/ LanL2DZ*+6‐31G* level were performed on 1 to rationalize its experimental absorption spectra. Fluorescent analysis reveals that complex 1 exhibits intense luminescence in ethanol solution at room temperature.