X-ray Structure and DFT Studies of a New Square Planar Silver(I) Complex of Ketene S,S-Dithioacetal Ligand

Saied M. Soliman, Yahia Nasser Mabkhot, Jörg Albering

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)52-61
Number of pages10
JournalJournal of Chemical Crystallography
Volume50
Issue number1
Early online dateMar 2020
DOIs
Publication statusPublished - 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)

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