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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Tracking the dissolution-recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study
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Tracking the dissolution-recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study

机译：跟踪铜（II）配合物的溶出 - 再结晶结构转化（DRST）：结晶，质谱和DFT研究

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摘要

Methanol- and temperature-induced dissolution-recrystallization structural transformation (DRST) was observed among two novel Cu-II complexes. This is first time that the combination of X-ray crystallography, mass spectrometry and density functional theory (DFT) theoretical calculations has been used to describe the fragmentation and recombination of a mononuclear Cu-II complex at 60 degrees C in methanol to obtain a binuclear copper(II) complex. Combining time-dependent high-resolution electrospray mass spectrometry, we propose a possible mechanism for the conversion of bis(8-methoxyquinoline-kappa N-2,O)bis-(thiocyanato-kappa N)copper(II), [Cu(NCS)(2)(C10H9NO)(2)], Cu1, to di-mu-methanolato-kappa(4) O:O-bis[(8-methoxyquinoline-kappa(2) N,O)(thiocyanato-kappa N)copper(II)], [Cu-2-(CH3O)(2)(NCS)(2)(C10H9NO)(2)], Cu2, viz. [Cu(SCN)(2)(L)(2)] (Cu1) -> [Cu(L)2] -> [Cu(L)]/L -> [Cu-2(CH3O)(2)(NCS)(2)(L)(2)] (Cu-2). We screened the antitumour activities of L (8-methoxyquinoline), Cu1 and Cu2 and found that the antiproliferative effect of Cu-2 on some tumour cells was much greater than that of L and Cu-1.
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