Tunneling motion in (HCl)2 hydrogen-bonded dimer probed by electrostatic hexapole and Doppler-selected TOF measurement for the internal energy distribution of [ClHCl]

Imura, Kohei; Ohoyama, Hiroshi; Naaman, Ron; Che, Dock‐Chil; Hashinokuchi, Michihiro; Kasai, Toshio

doi:10.1016/s0022-2860(00)00472-5

Cited by 12 publications

(11 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Wittig and co-workers succeeded in detecting signals due to Cl-HCl based on bond-specific photodissociation studies of (HCl) 2 where the translational energy of the ejected H-atom provides information about the internal energy of the Cl-HCl fragment. 11 Additional studies of Cl-HCl 12 and Cl-DCl 13 have also been conducted using mass spectroscopic techniques again based on photodissociation of (HCl) 2 and (DCl) 2 . However, these photodissociation studies do not provide detailed information on the associated entrance channel wells.…”

Section: Introductionmentioning

confidence: 99%

Synthesis and infrared characterization of Br–HBr and Br–DBr entrance channel complexes in solid parahydrogen

Kettwich

Pinelo

Anderson

2008

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

We report high resolution vibrational spectra in the HBr (2560 cm(-1)) and DBr (1840 cm(-1)) stretching regions for Br-HBr and Br-DBr entrance channel complexes isolated in solid parahydrogen (pH2). The Br-HBr complexes are generated by synthesizing solid pH2 crystals doped with trace amounts of HBr/Br2 mixtures followed by 355 nm in situ photodissociation of Br2 to form Br atoms. After photolysis is complete, the solid is warmed from 2 to 4.3 K resulting in the irreversible formation of Br-HBr complexes. The large 36.63 cm(-1) HBr monomer-to-complex induced vibrational shift to lower energy measured in these studies is consistent with the linear Br-HBr hydrogen bonded structure predicted from theory. The 0.02 cm(-1) Br-HBr absorption linewidths indicate a 1 ns vibrational excited state lifetime for these entrance channel complexes in solid pH2.

show abstract

Section: Introductionmentioning

confidence: 99%

Synthesis and infrared characterization of Br–HBr and Br–DBr entrance channel complexes in solid parahydrogen

Kettwich

Pinelo

Anderson

2008

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

show abstract

“…These systems have also been the subject of considerable experimental study, including the spectroscopy of the transition states, accessed by photodetaching an electron from the [XHY] À anion complexes, 29 and bond-specific photo-dissociation of HX dimers. 10,30 In addition, evidence for the existence of weakly bound X-HY complexes has come from infrared spectroscopy in noble gas matrices. 15,[31][32][33] Unfortunately, these studies do not provide detailed information on the associated entrance channel wells.…”

Section: Introductionmentioning

confidence: 99%

Entrance channel X–HF (X = Cl, Br and I) complexes studied by high-resolution infrared laser spectroscopy in helium nanodroplets

Merritt

Küpper

Miller

2005

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Rotationally resolved infrared spectra are reported for halogen atom-HF free radical complexes formed in helium nanodroplets. An effusive pyrolysis source is used to dope helium droplets with Cl, Br and I atoms, formed by thermal dissociation of Cl2, Br2 and I2. A single hydrogen fluoride molecule is then added to the droplets, resulting in the formation of the X-HF complexes of interest. Analysis of the resulting spectra confirms that the observed species have 2Pi3/2 ground electronic states, consistent with the linear hydrogen bound structures predicted from theory. Stark spectra are also reported for these species, from which the permanent electric dipole moments are determined.

show abstract

“…Wittig and co-workers 14,15 have attributed structure in the H atom kinetic energy distributions resulting from photodissociation of HCl in HCl dimer to the formation of a Cl-HCl product. The Cl-HCl and Cl-DCl products have been further studied by Imura et al 16 and Che et al 17 There have also been attempts to make Cl-HCl complexes directly in molecular beams and jets, but these have not yet to our knowledge been successful. However, Miller and co-workers 18 have recently succeeded in forming the related complex Br-HF in liquid helium droplets and have observed the infrared spectrum of the HF stretching band in the complex.…”

Section: Introductionmentioning

confidence: 99%

Potential energy surfaces and bound states for the open-shell van der Waals cluster Br–HF

Meuwly

Hutson

2003

The Journal of Chemical Physics

View full text Add to dashboard Cite

Use policyThe full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. Semiempirical potential energy surfaces for the lowest three electronic states of the open-shell complex Br-HF are constructed, based on existing empirical potentials for Kr-HF and Kr-Ne and coupled-cluster electronic structure calculations for Br-Ne. Coupled cluster calculations are also described for He-F, Ne-F and Ar-F. Electrostatic interactions that arise from the quadrupole of the Br atom and the permanent multipoles of HF are also included in the Br-HF surfaces. The well depth of the lowest adiabatic surface is found to be 670 cm Ϫ1 at a linear equilibrium geometry. The results of helicity decoupled and full close-coupling calculations of the bound states of the complex are also described. The ground state, with total angular momentum projection quantum number ͉P͉ϭ3/2, is found 435 cm Ϫ1 below dissociation to Br ( 2 P 3/2 )ϩHF ( jϭ0). The lowest-frequency intermolecular bending and stretching vibrations are predicted around 145 and 211 cm Ϫ1 , respectively. Parity splittings are found to be extremely small for bound states with projection quantum number ͉P͉ϭ3/2. The relevance of the results to recently recorded spectra of Br-HF is discussed.

show abstract

Tunneling motion in (HCl)2 hydrogen-bonded dimer probed by electrostatic hexapole and Doppler-selected TOF measurement for the internal energy distribution of [ClHCl]

Cited by 12 publications

References 40 publications

Synthesis and infrared characterization of Br–HBr and Br–DBr entrance channel complexes in solid parahydrogen

Synthesis and infrared characterization of Br–HBr and Br–DBr entrance channel complexes in solid parahydrogen

Entrance channel X–HF (X = Cl, Br and I) complexes studied by high-resolution infrared laser spectroscopy in helium nanodroplets

Potential energy surfaces and bound states for the open-shell van der Waals cluster Br–HF

Contact Info

Product

Resources

About