Theoretical, thermal, and coordination chemistry of the amphoteric thiazate (NSO<sup></sup>)<sup>1</sup> ion
作者:D Scott Bohle、Chen-Hsiung Hung、Bryan D Smith
DOI:10.1139/v05-191
日期:2005.12.1
indicates that KNSO undergoes a two stage irreversible thermolytic decomposition only beginning at 132 °C with ΔH = 116.3 kJ mol1. As a ligand, the thiazate can adopt a range of geometries in response to the metal's oxidation state and ligand sphere. For example, in Ru(TTP)(NO)(NSO) the ligand has a markedly bent Ru-N-S geometry, and when contrasted with other structurally characterized thiazate coordination
硫氮酸盐的异构体 (NSO??) 具有丰富的化学性质,在理论上和实验上都对其热和配位特性进行了研究。NSO的分子内异构化??预计 (B3LYP/6-311+G*) 对单亚硫酸盐 (ONS??) 具有实质性障碍,大于 418 kJ mol??1。因此,预计硫唑酸盐对异构化具有相对的热稳定性,DSC 表明 KNSO 仅在 132 °C 开始经历两阶段不可逆热分解,ΔH = ??116.3 kJ mol??1。作为配体,硫氮酸盐可以根据金属的氧化态和配体范围采用一系列几何形状。例如,在 Ru(TTP)(NO)(NSO) 中,配体具有明显弯曲的 Ru-NS 几何形状,并且与其他结构特征的硫氮配位化合物相比,