科研之友
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摘要
We report herein an unusual ionic complex [(H4MDP)(H2O)(4)Br-2] with the formation of an unprecedented Br-6(H2O)(8) cluster. A unique separation of cation and anion by water molecules in the crystal structure indicates stronger influence of non-covalent interactions. DFT calculation of energy parameters and Hirshfeld surface analysis, however, unambiguously shows the negligible contribution of anion towards stability. While the compound was predominately stabilized by not-so-well-known, highly charge delocalized cation-water cluster. Absence of any such cluster for other halide based complexes further support the statement.
- 出版日期2017-7-3
