Journal of Inorganic and Organometallic Polymers and Materials ( IF 4 ) Pub Date : 2021-09-01 , DOI: 10.1007/s10904-021-02093-z Badri Z. Momeni 1 , S. Farzad Hosseini 1 , Jan Janczak 2
Dimethyltin(IV) complex SnMe2(NCS)2 form two coordination polymers when react with the tetradentate 2,2′-bipyrimidine (bpym) ligand. The reaction of SnMe2(NCS)2 with 2,2′-bipyrimidine in a mole ratio of Sn:bpym/2:1 resulted in the formation of [SnMe2(NCS)2(bpym)]·SnMe2(NCS)2 (1) while the reaction of SnMe2(NCS)2 with bpym in a mole ratio of Sn:bpym/1:1 affords [SnMe2(NCS)2(H2O)(bpym)]·bpym (2). The resulting complexes have been characterized using elemental analysis, IR and multinuclear NMR (1H, 13C, 119Sn) spectroscopy. NMR data suggest the formation of [SnMe2(NCS)2-µ-bpym-SnMe2(NCS)2] (3) and [SnMe2(NCS)2(H2O)2]·2bpym (4) in solution for 1 and 2, respectively. The X-ray crystal structure of complex [SnMe2(NCS)2(bpym)]·SnMe2(NCS)2 (1) reveals that the geometry around tin atom in [SnMe2(NCS)2(bpym)] is highly distorted octahedral with a trans-[SnMe2] configuration whereas the geometry around tin atom in SnMe2(NCS)2 is distorted square pyramid due to the strong interaction of bridging NCS− with Sn to form 1D-coordination polymer. The crystal structure of [SnMe2(NCS)2(H2O)(bpym)]·bpym (2) indicates that tin is coordinated by two methyl and two NCS− ligands and one water molecule forming distorted square pyramid which coordinates to one of the two bpym molecules forming 5 + 2-coordinating polyhedron. The crystal packing of 2 indicates the formation of 1D-hydrogen-bonded polymer from a coordinated water molecule and the nitrogen atoms of uncoordinated bpym ligand. The interactions were quantitatively determined by Hirshfeld surface analysis, and thermal properties of the complexes were also investigated.
中文翻译：
具有多功能 2,2'-双嘧啶配体的二甲基锡 (IV) 配位聚合物：多核磁共振、Hirshfeld 表面分析研究和热性能
当与四齿 2,2'-联嘧啶 (bpym) 配体反应时，二甲基锡 (IV) 配合物 SnMe 2 (NCS) 2形成两种配位聚合物。SnMe 2 (NCS) 2与 2,2'-联嘧啶以 Sn:bpym/2:1 的摩尔比反应生成 [SnMe 2 (NCS) 2 (bpym)]·SnMe 2 (NCS) 2 ( 1 ) 而SnMe 2 (NCS) 2与bpym以Sn:bpym/1:1的摩尔比反应得到[SnMe 2 (NCS) 2 (H 2 O)(bpym)]·bpym ( 2）。已使用元素分析、IR 和多核 NMR（1 H、13 C、119 Sn）光谱表征所得配合物。NMR 数据表明 [SnMe 2 (NCS) 2 -µ-bpym-SnMe 2 (NCS) 2 ] ( 3 ) 和 [SnMe 2 (NCS) 2 (H 2 O) 2 ]·2bpym ( 4 ) 在溶液中的形成分别为1和2。配合物[SnMe 2 (NCS) 2 (bpym)]·SnMe 2 (NCS) 2 (1 ) 揭示 [SnMe 2 (NCS) 2 (bpym)] 中锡原子周围的几何形状是高度扭曲的八面体，具有反式-[SnMe 2 ] 构型，而 SnMe 2 (NCS) 2 中锡原子周围的几何形状是扭曲的正方形由于桥接 NCS -与 Sn 形成一维配位聚合物的强相互作用而形成金字塔。[SnMe 2 (NCS) 2 (H 2 O)(bpym)]·bpym ( 2 )的晶体结构表明锡由两个甲基和两个NCS配位-配体和一个水分子形成扭曲的方形金字塔，它与形成 5 + 2 配位多面体的两个 bpym 分子之一协调。的晶体堆积2表示1D-氢键聚合物从协调水分子和不协调bpym配体的氮原子形成。通过 Hirshfeld 表面分析定量确定了相互作用，并且还研究了配合物的热性质。
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