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Tracking the dissolution–recrystallization structural transformation (DRST) of copper(II) complexes: a combined crystallographic, mass spectrometric and DFT study
Author(s) -
Deng Qian-Jun,
Chen Min,
Chen Dong-Chu,
Long Hang-Yu,
Chen Chang-Ai
Publication year - 2020
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.304
H-Index - 17
ISSN - 2053-2296
DOI - 10.1107/s2053229620006701
Subject(s) - recrystallization (geology) , copper , dissolution , crystallography , transformation (genetics) , chemistry , materials science , metallurgy , geology , paleontology , biochemistry , gene
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 °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‐κ 2 N , O )bis(thiocyanato‐κ N )copper(II), [Cu(NCS) 2 (C 10 H 9 NO) 2 ], Cu1 , to di‐μ‐methanolato‐κ 4 O : O ‐bis[(8‐methoxyquinoline‐κ 2 N , O )(thiocyanato‐κ N )copper(II)], [Cu 2 (CH 3 O) 2 (NCS) 2 (C 10 H 9 NO) 2 ], Cu2 , viz. [Cu(SCN) 2 ( L ) 2 ] ( Cu1 ) → [Cu( L ) 2 ] → [Cu( L )]/ L → [Cu 2 (CH 3 O) 2 (NCS) 2 ( L ) 2 ] ( Cu2 ). We screened the antitumour activities of L (8‐methoxyquinoline), Cu1 and Cu2 and found that the antiproliferative effect of Cu2 on some tumour cells was much greater than that of L and Cu1 .