Wang, Ruijng; Xiao, Bo; Li, Wenzuo; Li, Qingzhong published their research in International Journal of Quantum Chemistry in 2021. The article was titled 《Cooperative effects between triel and halogen bonds in complexes of pyridine derivatives: An opposite effect of the nitrogen oxidation on triel and halogen bonds》.Recommanded Product: 15854-87-2 The article contains the following contents:
Ab initio calculations are performed for binary complexes of TrR3···4-PyX/4-OPyX and 4-PyX/4-OPyX···N-base (Tr = B, Al; R = H, Cl, Br, I; X = Cl, Br, I; N-base = HCN, NHCH2, NH3). The halogen bond (XB) is weak but becomes stronger in the HCN(sp) < NH3(sp3) < NHCH2(sp2) pattern. Nitrogen oxidation can enhance the XB a little. The triel bond (TrB) is very strong, with interaction energy ranging from -35 to -58 kcal/mol. The TrB is weaker for the heavier halogen atom in the AlR3 complex, while no such dependence is found in the BR3 complex. The oxygen atom of 4-OPyX engages in a weaker TrB than the nitrogen atom of 4-PyX, inconsistent with the neg. mol. electrostatic potentials (MEPs) on both atoms. Both TrB and XB are strengthened in TrR3···4-PyX/4-PyOX···N-base. The binding distance of the stronger TrB is shortened to less than that of the weaker XB, which is in contrast to that in BF3···NCH···NCH, where the stronger TrB has a larger shortening in the binding distance. The cooperativity is explained by MEP and charge transfer. In the experiment, the researchers used 4-Iodopyridine(cas: 15854-87-2Recommanded Product: 15854-87-2)
4-Iodopyridine(cas: 15854-87-2) belongs to pyridine. Pyridine’s structure is isoelectronic with that of benzene, but its properties are quite different. Pyridine is completely miscible with water, whereas benzene is only slightly soluble. Like all hydrocarbons, benzene is neutral (in the acid–base sense), but because of its nitrogen atom, pyridine is a weak base.Recommanded Product: 15854-87-2
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com