Monitoring fragmentation and oligomerization of a di-µ-methoxo bridged copper(ii) complex: structure, mass spectrometry, magnetism and DFT studies.
Dalton Trans
; 48(34): 13094-13100, 2019 Sep 14.
Article
em En
| MEDLINE
| ID: mdl-31411187
ABSTRACT
Analyses of the structural information of molecular fragments from the mass spectra of the solid-state products and their reaction solutions allow for the understanding of their formation and of their diverse properties. The reaction of CuCl2 and (1-methyl-1H-benzo[d]imidazole-2-yl)methanol (HL) led only to crystals containing molecular dimers of [Cu2(L)2Cl2] (Cu2). The CuII-CuII distance and Cu-OR-Cu angle in the structure are 3.044 Å and 104.8°, respectively. The magnetic susceptibility (3-400 K) is characterized by a very strong intradimer antiferromagnetic interaction of J = -465 and interdimer zj = -0.83 cm-1. But mass spectrometry of a dissolved single crystal in different source energies identifies both its fragmentation and oligomerization to [Cu] and [Cu]. DFT calculations give the relative stabilization energies of the fragments observed in ESI-MS to provide a formation process.
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Base de dados:
MEDLINE
Idioma:
En
Revista:
Dalton Trans
Assunto da revista:
QUIMICA
Ano de publicação:
2019
Tipo de documento:
Article