Dimethyl Sulfoxide-Coordinated Lead Chloride Complex, Pb <sub>2</sub> Cl <sub>4</sub> ·3DMSO
The lead chloride complex with dimethyl sulfoxide (Pb<sub>2</sub>Cl<sub>4</sub>·3DMSO) (<b>I</b>) was synthesized. The salt crystallizes in the centrosymmetric orthorhombic space group <i>Pnma</i>. The unit cell parameters are <i>a</i> = 13.9845(9) Å, <i>b</i> = 17.4787(11) Å, <i>c</i> = 7.3382(5) Å, <i>Z</i> = 4, and <i>Z</i> = 0.5. The crystal structure is stabilized by C-H···Cl hydrogen contacts and Pb···Cl, Pb···S, and C···O tetrel bonds. Quantum chemical calculations were performed to determine the optimized structure, FTIR spectrum, molecular structures, HOMO-LUMO energies, electronic properties, reactivity, and molecular electrostatic potential (MEP) of Pb<sub>2</sub>Cl<sub>4</sub>·3DMSO.
Authors
- G.S. Tonoyan (ORCID: https://orcid.org/0000-0002-0449-1308)
- Gerald Giester (ORCID: https://orcid.org/0000-0002-3883-4188)
- V.V. Ghazaryan (ORCID: https://orcid.org/0000-0002-9054-0734)
- Ashkhen L. Zatikyan (ORCID: https://orcid.org/0000-0003-4765-5234)
Institutions
- University of Vienna (AT)
- Yerevan State University (AM)
- Institute for Informatics and Automation Problems (AM)
Publication Details
- Journal
- ACS Omega
- Published
- 2026-02-19
- DOI
- https://doi.org/10.1021/acsomega.5c10428
- Primary Topic
- Solid-state spectroscopy and crystallography
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Ministry of Education and Science