Abstract A new thiadiazole ligand, N-ethyl-5- (benzo[b]thien-2-yl-)-1,3,4-thiadiazol-2-amine (BTH), was prepared from 3-methyl-1-benzofuran-2-carboxylic acid and N-ethylhydrazinecarbothioamide precursors. Corresponding silver(I) complex, tetrakis(N-ethyl-5-(benzo[b]thien-2-yl-)-1,3,4-thiadiazol-2-amine)silver(I) nitrate [Ag2(BTH)4](NO3)2 (1), was prepared. The structures of BTH and 1 were characterized by 1H-NMR, 13C-NMR, FT-IR, elemental analysis and HR-MS techniques. Furthermore, molecular structure of 1 was illuminated by X-ray crystallography. Owing to strong anagsotic interaction, crystal structure of the complex revealed an intriguing asymmetric monomer unit even with two same ligands in 2:1 metal-to-ligand stoichiometry. Photoluminescence properties of the complex were investigated by solid and solution media emission measurements. Excited and emissive state behavior of the complex was further analyzed by quantum chemical TD-DFT calculations and natural transition orbital (NTO) analyses.

中文翻译：

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新型噻二唑配体的强荧光银 (I) 配合物：X 射线晶体学、紧密的对立相互作用和 TD-DFT 发射状态

摘要 以 3-甲基-1-苯并呋喃为原料制备了新型噻二唑配体 N-乙基-5-(苯并[b]噻吩-2-基-)-1,3,4-噻二唑-2-胺 (BTH)。 -2-羧酸和N-乙基肼碳硫酰胺前体。对应的银(I)络合物，四(N-乙基-5-(苯并[b]噻吩-2-基-)-1,3,4-噻二唑-2-胺)银(I)硝酸[Ag2(BTH) 4](NO3)2 (1)，制备。BTH和1的结构通过1H-NMR、13C-NMR、FT-IR、元素分析和HR-MS技术表征。此外，1 的分子结构被 X 射线晶体学照亮。由于强烈的anagsotic相互作用，即使在2：1金属配体化学计量中具有两个相同的配体，复合物的晶体结构也显示出一个有趣的不对称单体单元。通过固体和溶液介质发射测量研究了配合物的光致发光特性。