期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1100, 期 -, 页码 506-512出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2015.07.053
关键词
Dithieno[3,2-b:2',3'-d]thiophene; Trimeric perfluoro-ortho-phenylene mercury; Secondary interactions; Solvatomorphism; X-ray diffraction; Quantum chemistry
资金
- U.S. National Science Foundation [PREM DMR-0934212, EPSCoR IIA-1301346]
- King Abdullah University of Science and Technology
The formation of the mixed-stack donor acceptor complex of dithieno [3,2-b:2',3'-d]thiophene (1) and trimeric perfluoro-ortho-phenylene mercury (I) has been investigated under different conditions. Two solvatomorphs mixed-stack complexes with a 1:1 donor acceptor ratio and different solvent molecules in the solid state (dichloromethane (2) and dichloroethane (3)) have been obtained and characterized by experimental methods (Fr-IR spectroscopy, differential thermogravimetric analysis, and X-ray crystallography) and quantum-chemical calculations at the density functional theory level. The differences in the solid state packing, thermal stability and potential charge-transfer properties of 2 and 3 are discussed. (C) 2015 Elsevier B.V. All rights reserved,
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