منابع مشابه
Electronic Structure and Stability of Hydrogen Halides and of Complex Ions XO
(1) It is shown that in the hydrogen halide molecules (internuclear distance ro) the proton penetrates the electronic shell of the anion to a depth which for the simplified case of spherical symmetry can be characterized by the condition: The amount of negative charge beyond the sphere of radius ro equals Ie, (2) From the dipole moments p.=xero of the hydrogen halide molecules it can be conclud...
متن کاملMolecular Simulation Study of Tetraalkylammonium Halides. 1. Solvation Structure and Hydrogen Bonding in Aqueous Solutions
The hydration structure in aqueous solutions of three tetraalkylammonium halides (TAAX), tetramethylammonium chloride (TMACl), tetrapropylammonium bromide (TPABr), and tetrabutylammonium bromide (TBABr) at concentrations of 2.2, 1.4, and 1.0 m, respectively, is studied via molecular dynamics (MD) simulation at ambient conditions. The results are compared directly with neutron diffraction with i...
متن کاملMatrix Isolation Infrared Spectra of Hydrogen Halide and Halogen Complexes with Nitrosyl Halides
Matrix isolation infrared spectra of nitrosyl halide (XNO) complexes with HX and X2 (X = Cl, Br) are presented. The r elative frequency shifts of the HX mode are modest (ClNO · H-Cl, !':..:v/v = = 0.045; BrNO·H-Br, Av/v = ·-0.026), indicating weak hydrogen bonds 1-3 kcal/mo!. These shifts are accompanied by significant shifts to higher frequencies in the XN-0 stretching mode (CIN-O · HCl, Av/v ...
متن کاملConductance of Hydrogen Halides (HCl and HBr) in Water-Dimethylformamide Mixtures at 25 °C
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
متن کاملVibration–rotation spectra of hydrogen halides in rare-gas liquids: Q-branch absorption*
Near-infrared spectra of HCl highly diluted in liquid Ar show intense absorption in the P-R interbranch region, so-called Q-branch absorption. In spite of its relevance for the shape of the bands, its physical origin has been elusive to date. We employ molecular dynamics simulations to study the influence of some physical effects that could contribute to Q-branch absorption. We check that multi...
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ژورنال
عنوان ژورنال: Journal of Chemical Education
سال: 1976
ISSN: 0021-9584,1938-1328
DOI: 10.1021/ed053p802.1