期刊
CRYSTAL GROWTH & DESIGN
卷 16, 期 11, 页码 6648-6653出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.cgd.6b01321
关键词
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资金
- Oak Ridge Associated Universities through the Ralph E. Powe Award
- Mississippi Center for Supercomputing Research
- National Science Foundation [CHE-1338056]
- University of Mississippi
- Direct For Mathematical & Physical Scien
- Division Of Chemistry [1338056] Funding Source: National Science Foundation
Among recent advances toward efficient semiconducting materials, rational design guidelines have emerged focusing on the synergy between various intermolecular interactions to improve the solid-state order of pi-conjugated molecules in organic electronic devices. Herein, we focus our attention on halogen bonding (XB) interactions and the crucial role of electron withdrawing substituents (e.g., nitro and fluoro) toward influencing solid-state properties via secondary interactions. Employing iodoethynyl benzene derivatives (F(2)BAI and (NO2)(2)BAI) and thiophene/furan-based building blocks equipped with pyridyl groups as self assembling domains (PyrTF and PyrT(2)), co-crystals driven by XB and pi-stacking interactions were formed and studied. Spectroscopic and thermal analysis of 1:1 mixtures provide initial evidence of co-crystallization. X-ray crystallography affords the inherent solid-state packing motifs within each assembly. Computational studies support experimental observations, revealing the dominant interactions and contribution of each substituent group toward increasing the stability of the resulting assemblies.
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