Journal
DALTON TRANSACTIONS
Volume 48, Issue 34, Pages 13094-13100Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9dt02890k
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Funding
- National Science Foundation for Distinguished Young Scholars of China [21525101]
- NSF of Hubei [2017CFA006, 2017GXNSFDA198040]
- NSF of Guangxi Province [2017CFA006, 2017GXNSFDA198040]
- BAGUI talent program [201904]
- Project of Talents Highland of Guangxi Province
- CNRS-France
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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 [Cu-2(L)(2)Cl-2] (Cu2). The Cu-II-Cu-II distance and Cu-OR-Cu angle in the structure are 3.044 angstrom and 104.8 degrees, 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 [CuII3] and [CuII4]. DFT calculations give the relative stabilization energies of the fragments observed in ESI-MS to provide a formation process.
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