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Investigation of Structural Transformation of a Chain-like Silver(I) Pyrazolate into a Triangular Isomer
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2021-11-19 , DOI: 10.1021/acs.cgd.1c00881 Wenqing Zhang 1 , Xiaoquan Feng 2 , Yan Zhou 1 , Jing-Huo Chen 1 , Seik Weng Ng 3 , Guang Yang 1
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2021-11-19 , DOI: 10.1021/acs.cgd.1c00881 Wenqing Zhang 1 , Xiaoquan Feng 2 , Yan Zhou 1 , Jing-Huo Chen 1 , Seik Weng Ng 3 , Guang Yang 1
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Four silver(I) pyrazolato complexes, namely, [Ag(mdnpz)]n, [(Ag(mdnpz)(NCCH3)]n, [Ag(mdnpz)]3·2.5H2O, and [Ag(mdnpz)]3·C7H8, were synthesized and structurally characterized by single-crystal X-ray diffraction, where mdnpz– denotes 4-methyl-3,5-dinitro-pyrazolate and C7H8 stands for toluene. The chain-like [Ag(mdnpz)]n can be prepared by mixing 4-methyl-3,5-dinitro-pyrazole and AgNO3 in methanol. [(Ag(mdnpz)(NCCH3)]n, adopting a helical chain structure, was isolated from an acetonitrile solution of [Ag(mdnpz)]n, which may be a key intermediate in the structural transformation. The triangular species can be obtained as adducts with water or toluene from the aforementioned CH3CN solution. On the basis of the experimental observations, crystal structures, mass spectrum, and theoretical investigation, the isomeric transformation can be described as a solvent-assisted, acid–base interaction promoted, thermodynamically favored process.
中文翻译：
链状吡唑银（I）向三角形异构体的结构转变研究
四种吡唑啉合银(I)络合物，即[Ag(mdnpz)] n、[(Ag(mdnpz)(NCCH 3 )] n、[Ag(mdnpz)] 3 ·2.5H 2 O和[Ag(mdnpz) ] 3 ·C 7 H 8被合成并通过单晶X射线衍射进行结构表征，其中mdnpz –表示4-甲基-3,5-二硝基-吡唑酸盐，C 7 H 8表示甲苯。 [Ag(mdnpz)] n可以通过在甲醇中混合 4-甲基-3,5-二硝基-吡唑和 AgNO 3来制备。[(Ag(mdnpz)(NCCH 3 )] n，采用螺旋链结构，是从 [Ag(mdnpz)] n的乙腈溶液中分离出来的，这可能是结构转变的关键中间体。三角形物质可以作为与水或甲苯的加合物从上述CH 3 CN溶液中获得。根据实验观察、晶体结构、质谱和理论研究，异构转化可以描述为溶剂辅助、酸碱相互作用促进、热力学有利的过程。
更新日期：2022-01-05
中文翻译：
链状吡唑银（I）向三角形异构体的结构转变研究
四种吡唑啉合银(I)络合物，即[Ag(mdnpz)] n、[(Ag(mdnpz)(NCCH 3 )] n、[Ag(mdnpz)] 3 ·2.5H 2 O和[Ag(mdnpz) ] 3 ·C 7 H 8被合成并通过单晶X射线衍射进行结构表征，其中mdnpz –表示4-甲基-3,5-二硝基-吡唑酸盐，C 7 H 8表示甲苯。 [Ag(mdnpz)] n可以通过在甲醇中混合 4-甲基-3,5-二硝基-吡唑和 AgNO 3来制备。[(Ag(mdnpz)(NCCH 3 )] n，采用螺旋链结构，是从 [Ag(mdnpz)] n的乙腈溶液中分离出来的，这可能是结构转变的关键中间体。三角形物质可以作为与水或甲苯的加合物从上述CH 3 CN溶液中获得。根据实验观察、晶体结构、质谱和理论研究，异构转化可以描述为溶剂辅助、酸碱相互作用促进、热力学有利的过程。
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