Spectrum and structure of water-rich water—hydracid complexes from matrix isolation spectroscopy: evidence for proton transfer

Infrared Spectroscopy of (HCl)m(H2O)n Clusters in Helium Nanodroplets: Definitive Assignments in the HCl Stretch Region

“…Two bands are observed at 2771.87 and 2773.91 cm -1 , which have an approximately 1:3 intensity ratio. Consistent with the observed splitting, ab initio calculations predict a 2.2 cm -1 redshift of the Cl-H · · · Cl stretch when the Cl atom labeled 1 is changed from 35 Cl to 37 Cl. In comparison, if the Cl atom labeled 2 is changed from 35 Cl to 37 Cl, a 0.02 cm -1 redshift is predicted.…”

Comparative analysis of the H–F stretching band in absorption spectra of gas-phase complexes of HF with water, dimethyl ether, and acetone

“…The lone-pairs of the O atom involved in hydrogen bonding are tetragonal in H 2 O and (CH 3 ) 2 O and trigonal in (CH 3 ) 2 CO. Of these systems the H 2 OÁ Á ÁHF complex has been the object of the most extensive studies. The low-temperature matrix isolation experiments provided information on the vibrational frequencies of complexes of water with hydrogen fluoride and hydrogen chloride [4][5][6]. Absorption spectra of the H 2 OÁ Á ÁHF complex were recorded in the gas phase by Thomas [7].…”

Communication: A new ab initio potential energy surface for HCl–H2O, diffusion Monte Carlo calculations of D and a delocalized zero-point wavefunction

“…The dimer, which is of great interest in its own right, has been firmly identified using a variety of techniques including velocity-map imaging with resonanceenhanced multiphoton ionization, 1, 2 infrared studies in liquid helium, 3,4,24,25 microwave spectroscopy, 26,27 ragout-jet FTIR 28,29 cavity ringdown spectroscopy, 30 and infrareda) Email: jmbowma@emory.edu matrix isolation spectroscopy. [31][32][33][34][35] Of these studies Refs. 1 and 2 have reported studies of the molecular dissociation of the dimer.…”