Peloquin Andrew J, Kobra Khadijatul, Li Yuxuan, McMillen Colin D, Pennington William T
Department of Chemistry, Clemson University, 219 Hunter Laboratories, Clemson, SC 29634-0973, USA.
Currently at Department of Chemistry, Hollins University, 7916 Williamson Road, Roanoke, VA 24020, USA.
Chempluschem. 2021 Apr;86(4):612-621. doi: 10.1002/cplu.202100096.
To study the role of the triiodide (I ) anion in establishing various halogen bonding patterns, the trimethylphenylammonium iodide (NMe PhI) salt was reacted with diiodine (I ) in the presence of a series of organoiodines, tetraiodoethylene (TIE), 1,2-diiodo-3,4,5,6-tetrafluorobenzene (o-F DIB), 1,4-diiodo-2,3,5,6-tetrafluorobenzene (p-F DIB), and 1,3,5-trifluoro-2,4,6-triiodobenzene (1,3,5-F I B) to form cocrystals of the organoiodines with the trimethylphenylammonium triiodide (NMe PhI ) salt. Single-crystal X-ray crystallography revealed the (I ) anion served as a halogen bond acceptor for the organoiodine donors, forming a variety of 1-D, 2-D, and 3-D packing arrangements through I⋅⋅⋅I halogen bonding. Significant asymmetry was observed within the (I ) anion. The melting points of the cocrystalline materials, as determined by simultaneous DSC/TGA, ranged from 43 °C to 119 °C and showed a strong dependence on the identity of the organoiodine incorporated into the crystal lattice.
为了研究三碘化物（I⁻）阴离子在建立各种卤键模式中的作用，在一系列有机碘（四碘乙烯（TIE）、1,2 - 二碘 - 3,4,5,6 - 四氟苯（o - F₄DIB）、1,4 - 二碘 - 2,3,5,6 - 四氟苯（p - F₄DIB）和1,3,5 - 三氟 - 2,4,6 - 三碘苯（1,3,5 - F₃I₃B））存在的情况下，使三甲基苯基碘化铵（NMe₃PhI）盐与二碘（I₂）反应，以形成有机碘与三甲基苯基碘化铵三碘化物（NMe₃PhI₃）盐的共晶体。单晶X射线晶体学表明，I⁻阴离子作为有机碘供体的卤键受体，通过I⋅⋅⋅I卤键形成了各种一维、二维和三维堆积排列。在I⁻阴离子内观察到明显的不对称性。通过同步DSC/TGA测定，共晶材料的熔点范围为43℃至119℃，并且对掺入晶格中的有机碘的种类有很强的依赖性。
