Abstract
Triiodide salts of pyridinium-type cations CatI3 (cat = 1,2-MePy (1), 1,2,6-MePy (2) and 1,2,4,6-MePy (3) were prepared and characterized by X-ray diffractometry. In the cases of 1 and 2, formation of supramolecular anionic dimers {(I3)2}2- was observed in solid state (I⋯I = 3.685 and 3.912 Å, respectively), while in 3 triiodides remain isolated. The features of I⋯I contacts were studied by theoretical methods and Raman spectroscopy.
Original language | English |
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Article number | 127949 |
Number of pages | 5 |
Journal | Journal of Molecular Structure |
Volume | 1209 |
DOIs | |
Publication status | Published - 5 Jun 2020 |
Keywords
- DFT calculations contacts
- Halogen bonding
- Non-covalent interactions
- Polyhalogens
- Raman spectroscopy
- INTERPLAY
- RAMAN-SPECTROSCOPY
- COMPLEXES
- IODINE
- NONCOVALENT INTERACTIONS
- BROMINE
- CRYSTALS
- STRUCTURAL PROOF
- LIQUID-BASED SYNTHESIS
- BOND