Noncovalent interactions and photophysical properties of new Ag(I) complexes with 4-amino-2,1,3-benzothiadiazole

作者：Sukhikh T S^*; Bashirov D A; Shuvaev S; Komarov V Yu; Kuratieva N V; Konchenko S N; Benassi E^*

来源：Polyhedron, 2018, 141: 77-86.

DOI：10.1016/j.poly.2017.11.017

• Coordination compound
• Red emission
• Crystal structure
• Quantum chemical calculations
• Silver-aromatic interaction

New silver complexes [AgL(NO3)](n) (1), [AgL2(NO3)](n) (2) and [AgL3(NO3)](2) (3) (L = 4-amino-2,1,3-benzothiadiazole) were obtained as single-phase products of the reactions of AgNO3 with L by varying their ratio. The structures of 1-3 were established by single-crystal X-ray diffraction and contain {Ag2L2} units, where L acts as a bridging ligand. The other metal coordination sites are occupied by 0 atoms of nitrates and N atoms of L ligands. Several types of strong and weak L L and Ag L interactions in the complexes are discussed herein, supported by quantum chemical calculations. Differences in the structures of the complexes cause significant changes of the photoluminescence intensity: no emission for 2 and noticeable for 1 and 3. However, similar values of luminescence maxima for 1 and 3 (630 and 620 nm, respectively) result in red emission for both compounds. Structural, topological, and spectroscopic findings are interpreted on the basis of state-of-the-art quantum mechanical calculations.

• 出版日期2018-2-15