Abstract
The [AgL2]ClO4 complex, where L is ketene S,S-dithioacetal type ligand, is synthesized and characterized using elemental analysis, different spectroscopic techniques (FTIR and NMR) and single crystal X-ray diffraction (SC-XRD). The Ag-atom is coordinated by two oxygen and two sulfur atoms of both bidentate ligands resulting in a distorted square planar environment augmented by two weak contacts with two oxygen atoms from the perchlorate anion. The H⋯H (42.0%), O⋯H (29.7%), C⋯H (10.8%) and S⋯H (11.7%) intermolecular contacts were quantified using Hirshfeld analysis. The PBEPBE and WB97XD methods are the best to predict the Ag–S and Ag–O(L) distances. Natural bond orbital (NBO) analysis showed that each ligand (L) transferred 0.1507 e (exp. 0.1715 e) to Ag-atom while the perchlorate anion lost 0.1748 e (exp. 0.1481 e) to silver {0.5227 e (exp. 0.5088 e)}
Original language | English |
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Pages (from-to) | 52-61 |
Number of pages | 10 |
Journal | Journal of Chemical Crystallography |
Volume | 50 |
Issue number | 1 |
Early online date | Mar 2020 |
DOIs | |
Publication status | Published - 1 Mar 2020 |
Keywords
- Hirshfeld
- Ketene
- NBO
- S,S-dithioacetal
- Silver(I)
- Square planar
ASJC Scopus subject areas
- Inorganic Chemistry
- Condensed Matter Physics
- Chemistry(all)
Fields of Expertise
- Sonstiges
Treatment code (Nähere Zuordnung)
- Basic - Fundamental (Grundlagenforschung)