Preparation and crystal structure of the tetramethylammonium thiocyanate sulfur dioxide adduct, (CH3)(4)N+SCN-center dot SO2 [German]

Kornath A.; Ludwig R.; Blecher O.

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Preparation and crystal structure of the tetramethylammonium thiocyanate sulfur dioxide adduct, (CH3)(4)N+SCN-center dot SO2 [German]

机译：硫氰酸四甲铵二氧化硫加合物（CH3）（4）N + SCN-中心点SO2的制备和晶体结构[德国]

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Tetramethylammonium thiocyanate reacts with sulfur dioxide under formation of tetramethylammonium thiocyanate sulfur dioxide adduct. The resulting salt is characterised by NMR and vibrational spectroscopy and its crystal structure. (CH3)(4)N+SCN- . SO2 crystallizes in the monoclinic space group P2(1)/c with a = 578.4(1) pm, b = 1634.3(1) pm, c = 1054.6(1) pm, beta = 105.17(1)degrees, and four formula units in the unit cell. The crystal structure possesses a strong S-S interaction between the NCS- anion and the SO2 molecule. The NCS-SO2 distance of 301.02(9) pm is longer than a covalent single bond, thus the compound is rather described as an adduct. The structure is compared with ab initio calculated data. [References: 35]

机译：四甲基硫氰酸铵与二氧化硫反应，形成四甲基硫氰酸铵二氧化硫加合物。所得盐通过NMR和振动光谱及其晶体结构表征。（CH3）（4）N + SCN-。 SO2在单斜空间群P2（1）/ c中以a = 578.4（1）pm，b = 1634.3（1）pm，c = 1054.6（1）pm，β= 105.17（1）度和四个公式单位结晶在晶胞中。晶体结构在NCS阴离子和SO2分子之间具有很强的S-S相互作用。 NCS-SO2距离301.02（9）pm长于共价单键，因此该化合物被描述为加合物。将结构与从头算出的数据进行比较。 [参考：35]

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《Zeitschrift fur Anorganische und Allgemeine Chemie》 |2000年第3期|共5页
作者
Kornath A.; Ludwig R.; Blecher O.;
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正文语种 ger
中图分类化学;
关键词
Sulfites; Sulfur dioxide adducts; Crystal structure; Vibrational spectroscopy; Thiocyanates; Vibrational-spectra; Reduction; Ions;

机译：亚硫酸盐;二氧化硫加合物;晶体结构;振动光谱;硫氰酸盐;振动光谱;还原;离子;

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Preparation and crystal structure of the tetramethylammonium thiocyanate sulfur dioxide adduct, (CH3)(4)N+SCN-center dot SO2 [German]

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