Ibon Alkorta

TL;DR: In this paper, theoretical calculations on a series of SiXY3-ZW complexes, where X and Y are H, F, and Cl, and Z corresponds to an electron donor atom (ZW ) NH3, NCH, CNH, OH2, FH), were performed.

TL;DR: In this article, the authors present theoretical proof that the nature of the interactions existent in the complexes formed between hydrogen fluoride and a series of π-systems (acetylene, ethylene, cyclopropene, cyclobutadiene, and benzene) and three-memebered-ring derivatives (cyclopropane and tetrahedrane) is that of a hydrogen bond between the hydrogen atom and the π cloud.

TL;DR: Two minima complexes are found, one with an OH...N hydrogen bond and the other one with a X...N halogen bond, and the first one is more stable for the smallest halogen derivatives.

TL;DR: A theoretical study of the possible interaction of the π-cloud of hexafluorobenzene (C6F6) with several small electron-donor molecules (FH, HLi, :CH2, NCH, and CNH) has been carried out as mentioned in this paper.

TL;DR: Ab initio calculations have been carried out in a systematic investigation of P···N pnicogen complexes H( 2)XP:NXH(2) for X ═ H, CH(3), NH(2), OH, F, and Cl, as well as selected complexes with different substituents X bonded to P and N.