Therefore, HCl cannot participate in hydrogen bonding. ##中文回答。 HCl不能形成氢键,是因为它没有形成氢键所必需的官能团。氢键是一种分子间相互作用,发生在分子中有一个氢原子与一个高电负性原子(如氧、氮或氟)键合时。电负性原子吸引氢键中的电子云,在氢原子和电负性原子上产生了一个部分正电荷和一个部分负...
A detailed investigation has been made of the methodological dependence of computed structures, binding energies, and some vibrational properties of selected hydrogen-bonded complexes. Structures and vibrational frequencies have been computed using four different levels of theory: HF /6-31G( d ), HF ...
Abinitio quantum chemical techniques have been used to investigate the structures and energetics of a number of hydrogen bonded adducts of F and C—H bonds... M. Roy and , T. B. McMahon - 《Canadian Journal of Chemistry》 被引量: 67发表: 1985年 Competition between hydrogen bonding and ar...
Hydrogen Bonding Properties of the Complexes of Formaldehyde and its Derivatives with HF and HCldoi:10.1007/s007060200008The complexes of formaldehyde and some of its derivatives with HF and HCl were investigated at HF/6-311 + +G** and MP2/6-311 + +G** levels of theory. ...
Internal hydrogen bonding in tetrahedral and trigonal bipyramidal zinc(II) complexes of pyridine-based ligands N–HCl–Zn hydrogen bond is shifted downfield by 2.2–2.5 ppm in 1, 2 and by 1.1–1.2 ppm in 3–6 relative to in the corresponding ligand L1–6... JCM Rivas,E Salvagni,de Rosale...
The reactions of HOCl with HCl on water clusters have been theoretically investigated.Ab initiocalculations indicate that hydrogen bond and cooperative effect play an essential role in the reactions; that the reaction barrier of HOCl with cyclic(H2O)n.HClcluster is the least atn=3and that the ion...
HCl lies in the COC bisecting plane forming a non-linear hydrogen bond to the equatorial non-bonding electron pair at oxygen. The geometries of the axial and equatorial conformers have been optimized at MP2/6-311++G(d,p) level of theory predicting the equatorial conformer as the most ...
Homework Statement Explain why hydrogen fluoride (HF) has a higher boiling temperature than hydrogen chloride (HCL) even though HF has a lower molecular weight. Attempt OK so from the looks of it I think that the bonding that bonds the H to the Cl and the H to the F is polar covalent...
Localized molecular orbital studies of hydrogen bonding in hydrogen fluoride (HF2-), hydrogen chloride (HCl2-), hydrogen fluoride chloride (HFCl-), monoprotonated chlorine, and hydrogen fluoride (HF2) moleculestheory, structureNo abstract is available for this article.doi:10.1002/chin.198445001SAN...
In continuation of our recent activity on inorganic crystal engineering from the standpoint of metal–ligand coordination chemistry and C–HCl2MII hydrogen bonding, in this work we have investigated the potential of coordination modules present in 1a and 1b in bringing about generality of homochiral...