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首页> 外文期刊>Journal of Molecular Structure >Structure and phase transition in bis(pyrrolidinium) hexachlorometallates, (C_4H_8NH_2)_2MCl_6 (M = Sn, Te and Pt), studied by X-ray diffraction, ~(35)Cl NQR and DSC
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Structure and phase transition in bis(pyrrolidinium) hexachlorometallates, (C_4H_8NH_2)_2MCl_6 (M = Sn, Te and Pt), studied by X-ray diffraction, ~(35)Cl NQR and DSC

机译：通过X射线衍射，〜（35）Cl NQR和DSC研究了双（吡咯烷鎓）六氯金属酸盐（C_4H_8NH_2）_2MCl_6（M = Sn，Te和Pt）的结构和相变

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摘要

Single crystal X-ray diffraction, 35C1 nuclear quadrupole resonance (NQR) and differential scanning calorimetry (DSC) measurements were taken for bis(pyrrolidinium) hexachlorometallates, (C4H8NH2)2MC16 (M = Sn, Te and Pt). A solid—solid phase transition was observed at 150(1). 159(1) and 134(1) K for stannate, tellurate and platinate. respectively. 35C1 NQR signals were observed in stannate and platinate, both of which showed a two-line spectrum in the high-temperature phase and a three-line spectrum in the low-temperature phase. The high-temperature phases of the three complexes were found to be isostructural with each other belonging to the space group C2Im (#12). The C4H5NH~ and MClV ions are connected by N— H- -Cl hydrogen bonds forming parallel sheets in the crystals. Disorder of the cation ring appears in these high-temperature phases. Semi-empirical MO calculations were performed to estimate the stable structure of the pyrrolidinium ion.
机译：对双（吡咯烷鎓）六氯金属酸盐（C4H8NH2）2MC16（M = Sn，Te和Pt）进行了单晶X射线衍射，35C1核四极共振（NQR）和差示扫描量热（DSC）测量。在150（1）处观察到固-固相变。 159（1）和134（1）K代表锡酸盐，碲酸盐和铂酸盐。分别。在锡酸盐和铂酸盐中观察到35 C1 NQR信号，二者在高温相中均显示两线光谱，在低温相中均显示三线光谱。发现这三个配合物的高温相彼此同构，属于空间群C2Im（＃12）。 C4H5NH〜和MClV离子通过NH--Cl氢键连接，从而在晶体中形成平行片。在这些高温相中出现阳离子环的紊乱。进行半经验MO计算以估计吡咯烷鎓离子的稳定结构。

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