Journal
STRUCTURAL CHEMISTRY
Volume 27, Issue 6, Pages 1733-1741Publisher
SPRINGER/PLENUM PUBLISHERS
DOI: 10.1007/s11224-016-0845-3
Keywords
Pyridine-2-selenenyl chloride; T-shaped adduct; Conformational analysis; Molecular structure; DFT calculation; Crystal structure
Funding
- Russian Foundation for Basic Research [14-03-00914]
- Russian Academy of Sciences of the program Theoretical and experimental study of chemical bonding and mechanisms of chemical reactions and processes''
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According to an X-ray diffraction study, pyridine-2-selenenyl chloride (1) characterized by unusually high stability both in solutions and in the solid state adopts a dimeric structure formed by two secondary intermolecular Se center dot center dot center dot N interactions. However, it slowly transforms into zwitterionic T-shaped pyridinium-2-selenenyl dichloride (2) in a dichloromethane solution. Conformational features, electronic structures, and reactivities of 1 and 2 are discussed on the basis of experimental and theoretical (quantum chemical calculations) data.
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