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#HBR MOLAR MASS SERIES#

Please note: The list is limited to 20 most important contributors or, if less, a number sufficient to account for 90% of the provenance. Solvation states of HCl in mixed ether:acid crystals: A computational study.Top contributors to the provenance of Δ fH° of HBr (g) The 20 contributors listed below account only for 61.2% of the provenance of Δ fH° of HBr (g).Ī total of 227 contributors would be needed to account for 90% of the provenance. Ab initio study on mixed methanol–hydrogen chloride dimer and trimers.

Agnieszka Andrzejewska, Joanna Sadlej.

Experimental and computational study of isotopic effects within the Zundel ion. HCl solvation in methanol clusters and nanoparticles: Evidence for proton-wires. Cooperative and anticooperative mixed trimers of HCl and methanol.

Marcus Weimann, Michal Fárník, Martin A.

The amorphous analogs of the crystalline monohydrate of HCl: Structures and spectra. The Journal of Chemical Physics 2007, 126 Thermal FT-IRmicrospectroscopy for rapid detection of solid-state ion-exchange reaction between metoclopramide HCl monohydrate and potassium bromide.

Wen-Ting Cheng, Shun-Li Wang, Shan-Yang Lin.

Chinese Journal of Chemical Physics 2011, 24

Chao-xian Chi, Hua Xie, Ran Cong, Zi-chao Tang, Ming-fei Zhou.

Molecular perspectives on solid-state phase transformation and chemical reactivity of drugs: metoclopramide as an example. The direct crystallographic evidences of undissociated HCl hydrates and unconventional cis-linear conformation of the water dimer in an organic crystal determined at ambient condition.

Cong Zhang, Ya Feng, Chen Shen, Guoping Yong.

The Journal of Chemical Physics 2019, 151 Can sulfur-containing molecules solvate/ionize HCl? Solid state solvation of HCl on/in methanethiol clusters/nanoparticles. Environmental Science: Processes & Impacts 2020, 22 Integrated experimental and theoretical approach to probe the synergistic effect of ammonia in methanesulfonic acid reactions with small alkylamines. The Journal of Physical Chemistry B 2006, 110 HCl Solvation at the Surface and within Methanol Clusters/Nanoparticles II: Evidence for Molecular Wires. Paul Devlin,, Joanna Sadlej,, Victoria Buch. The Journal of Physical Chemistry A 2008, 112 HCl Hydrates as Model Systems for Protonated Water. Interaction in the Ternary Complexes of HCl−Methanol−X, X = H2O or NH3: Ab Initio Calculations and On-the-Fly Molecular Dynamics.

Katarzyna Kulczycka, Pawel Kalbarczyk, Nevin Uras-Aytemiz, and, Joanna Sadlej.

Microsolvation of HCl within Cold NH3 Clusters.

Paweł Siuda, Nevin Uras-Aytemiz and Joanna Sadlej.

The Journal of Physical Chemistry A 2014, 118 HCl Dissociation in Methanol Clusters from Ab Initio Molecular Dynamics Simulations and Inner-Shell Photoelectron Spectroscopy.

This article is cited by 18 publications. However, in the case of 2:1 and 4:1 HBr−THF, the acid is fully molecular, though perturbed significantly by solvation. In the case of HCl, the Zundel unit appears to persist to intermediate acid:ether ratios, despite dilution by the extra acid. Such units polarize, mutually solvate, and stabilize each other.

In the 1:1 crystals, very intense and broad bands in the 800−1500 cm -1 range suggest proton sharing between the halide and the O atom of the ether and a Zundel-like species is suggested as the basic unit. In the limit of high acid−ether ratio, the acid is clearly molecular. In contrast, mixed acid−ether solids tend to be acid-rich new crystal solids were discovered, with HX−ether ratios of 6:1, 4:1, 2:1, and 1:1.

#HBR MOLAR MASS SERIES#

The parallel to the HX−hydrate series apparently extends to the formation of the methanol analogues of the hydronium and Zundel cations, for the corresponding solvent−acid ratios. For methanol, crystal and amorphous ionic solids form with MeOH:HX ratios of 1:1, 2:1, and 3:1, in analogy to the hydrate case. A dramatic difference was observed between methanol and ether solvation. The results were interpreted with the help of density functional theory (DFT) calculations for (HX) n(solvent) m clusters and for protonated solvent ions. Effort was devoted to finding those composition ratios for which the acid and the solvent readily form mixed crystalline and amorphous solids and to the study of the extent of acid solvation in these solids. The study is an extension of previous investigations of acid hydrates. Solid state solvation of HCl and HBr (i.e., HX acids) was investigated by FTIR spectroscopy, with methanol (MeOH), dimethyl ether (DME), and tetrahydrofuran (THF) acting as solvents.