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Monitoring fragmentation and oligomerization of a di-μ-methoxo bridged copper(II) complex: structure, mass spectrometry, magnetism and DFT studies.
- Source :
- Dalton Transactions: An International Journal of Inorganic Chemistry; 9/7/2019, Vol. 21 Issue 17, p13094-13100, 7p
- Publication Year :
- 2019
-
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 CuCl<subscript>2</subscript> and (1-methyl-1H-benzo[d]imidazole-2-yl)methanol (HL) led only to crystals containing molecular dimers of [Cu<subscript>2</subscript>(L)<subscript>2</subscript>Cl<subscript>2</subscript>] (Cu2). The Cu<superscript>II</superscript>–Cu<superscript>II</superscript> 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<superscript>−1</superscript>. But mass spectrometry of a dissolved single crystal in different source energies identifies both its fragmentation and oligomerization to [Cu <superscript>II</superscript><subscript>3</subscript> ] and [Cu <superscript>II</superscript><subscript>4</subscript> ]. DFT calculations give the relative stabilization energies of the fragments observed in ESI-MS to provide a formation process. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14779226
- Volume :
- 21
- Issue :
- 17
- Database :
- Complementary Index
- Journal :
- Dalton Transactions: An International Journal of Inorganic Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 138294390
- Full Text :
- https://doi.org/10.1039/c9dt02890k