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

T. S. Sukhikh, D. A. Bashirov, S. Shuvaev, V. Yu Komarov, N. V. Kuratieva, S. N. Konchenko, E. Benassi

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Abstract

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 O 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.

Original languageEnglish
Pages (from-to)77-86
Number of pages10
JournalPolyhedron
Volume141
DOIs
Publication statusPublished - 15 Feb 2018
Externally publishedYes

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Keywords

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

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Cite this

Sukhikh, T. S., Bashirov, D. A., Shuvaev, S., Komarov, V. Y., Kuratieva, N. V., Konchenko, S. N., & Benassi, E. (2018). Noncovalent interactions and photophysical properties of new Ag(I) complexes with 4-amino-2,1,3-benzothiadiazole. Polyhedron, 141, 77-86. https://doi.org/10.1016/j.poly.2017.11.017