Midinfrared spectra of HCl dimers have been obtained in helium nanodroplets. The interchange-tunneling (IT) splitting in the vibrationally excited state of the bonded H-Cl stretching band (nu(2)) in (H(35)Cl-H(37)Cl) dimers was measured to be 2.7+/-0.2 cm(-1), as compared to 3.7 cm(-1) in free dimer. From the splitting, the strength of the IT coupling in liquid helium of 0.85+/-0.15 cm(-1) was obtained, which is about a factor of 2 smaller than in the free dimer. The results are compared with the previous spectroscopic study of (HF)(2) in He droplets as well as the theoretical study of (HF)(2) and (HCl)(2) dimers in small He clusters.
Download full-text PDF |
Source |
---|---|
http://dx.doi.org/10.1063/1.2834925 | DOI Listing |
J Chem Phys
April 2021
Air Force Research Laboratory, Munitions Directorate, 2306 Perimeter Rd., Eglin AFB, Florida 32542-5910, USA.
Infrared spectroscopic studies of weakly bound clusters isolated in solid parahydrogen (pH) that exhibit large-amplitude tunneling motions are needed to probe how quantum solvation perturbs these types of coherent dynamics. We report high resolution Fourier transform infrared absorption spectra of (HCl), HCl-DCl, and (DCl) isolated in solid pH in the 2.4-4.
View Article and Find Full Text PDFJ Chem Phys
March 2008
Department of Chemistry, University of Southern California, Los Angeles, California 90089, USA.
Midinfrared spectra of HCl dimers have been obtained in helium nanodroplets. The interchange-tunneling (IT) splitting in the vibrationally excited state of the bonded H-Cl stretching band (nu(2)) in (H(35)Cl-H(37)Cl) dimers was measured to be 2.7+/-0.
View Article and Find Full Text PDFJ Chem Phys
December 2005
Department of Chemistry, New York University, New York, NY 10003, USA.
We present a rigorous theoretical study of the solvation of (HCl)(2) and (HF)(2) by small ((4)He)(n) clusters, with n=1-14 and 30. Pairwise-additive potential-energy surfaces of He(n)(HX)(2) (X=Cl and F) clusters are constructed from highly accurate four-dimensional (rigid monomer) HX-HX and two-dimensional (rigid monomer) He-HX potentials and a one-dimensional He-He potential. The minimum-energy geometries of these clusters, for n=1-6 in the case of (HCl)(2) and n=1-5 for (HF)(2), correspond to the He atoms in a ring perpendicular to and bisecting the HX-HX axis.
View Article and Find Full Text PDFPhys Rev Lett
March 2002
International School for Advanced Studies, SISSA, Via Beirut 2/4, I-34014 Trieste, Italy.
We present diffusion quantum Monte Carlo calculations of the interchange tunneling splitting of (4)He(n)(HF)(2) clusters, n = 1-10. The tunneling splitting decreases rapidly for n = 1-4 clusters, and much more slowly for n>4. The decrease calculated for (4)He(n)(HF)(2) represents 74% of the reduction in the tunneling splitting measured recently for HF dimer in nanodroplets of more than 2000 He atoms.
View Article and Find Full Text PDFEnter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!