Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
Noncovalent interactions and photophysical properties of new Ag(I) complexes with 4-amino-2,1,3-benzothiadiazole. / Sukhikh, T. S.; Bashirov, D. A.; Shuvaev, S. и др.
в: Polyhedron, Том 141, 15.02.2018, стр. 77-86.Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование
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TY - JOUR
T1 - Noncovalent interactions and photophysical properties of new Ag(I) complexes with 4-amino-2,1,3-benzothiadiazole
AU - Sukhikh, T. S.
AU - Bashirov, D. A.
AU - Shuvaev, S.
AU - Komarov, V. Yu
AU - Kuratieva, N. V.
AU - Konchenko, S. N.
AU - Benassi, E.
N1 - Publisher Copyright: © 2017 Elsevier Ltd
PY - 2018/2/15
Y1 - 2018/2/15
N2 - 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.
AB - 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.
KW - Coordination compound
KW - Crystal structure
KW - Quantum chemical calculations
KW - Red emission
KW - Silver–aromatic interaction
KW - RED EMITTER
KW - 4-AMINOBENZO-2,1,3-THIADIAZOLE
KW - CRYSTAL-STRUCTURE
KW - PERFORMANCE
KW - 2,1,3-BENZOTHIADIAZOLES
KW - STACKING INTERACTIONS
KW - DENSITY
KW - BENZOTHIADIAZOLE
KW - Silver-aromatic interaction
KW - FLUORESCENCE
KW - COORDINATION POLYMERS
UR - http://www.scopus.com/inward/record.url?scp=85036670294&partnerID=8YFLogxK
U2 - 10.1016/j.poly.2017.11.017
DO - 10.1016/j.poly.2017.11.017
M3 - Article
AN - SCOPUS:85036670294
VL - 141
SP - 77
EP - 86
JO - Polyhedron
JF - Polyhedron
SN - 0277-5387
ER -
ID: 9160045