Studies of low-frequency intermolecular hydrogen-bonded vibrations using a continuous supersonic slit jet mid-infrared quantum cascade laser spectrometer Academic Article uri icon

abstract

  • Rovibrational manifolds in low frequency intermolecular vibrations of prototypical hydrogen-bonded interactions OC-HX (X = F, Cl, CN) are reported using a near infrared quantum cascade cw supersonic jet spectrometer. (i) OC-HCl is studied to evaluate future capabilities of the QCL spectrometer. (ii) Analysis of OC-HF demonstrates applicability to vibrations greater than 80 cm -1 above the ground state. 51 band origins in OC- 1 H 35 Cl and OC- 1 H 19 F are 48.9944(2) and 81.96825(12) cm -1 respectively. (iii) The corresponding intermolecular 71 band origin of OC-HCN is 34.63742(18) cm -1 and its corresponding rovibrational spectrum made available for attempted detection in interstellar space. Analysis of 2 , 2 +71- 71, 2 +71, and 2 +61 vibrations in OC-HCN also enables generation of its 5-dimensional semi-empirical intermolecular potential. Structural and other properties of OC-HCN are then compared with corresponding properties predicted using morphed potentials for the homologous series OC-HX (X = F, Cl, Br, I). These results permit investigation of blue shifts in OC vibrations for this homologous series. 2012 Elsevier B.V. All rights reserved.

published proceedings

  • CHEMICAL PHYSICS

altmetric score

  • 3

author list (cited authors)

  • McElmurry, B. A., Rivera-Rivera, L. A., Scott, K. W., Wang, Z., Leonov, I. I., Lucchese, R. R., & Bevan, J. W.

citation count

  • 8

complete list of authors

  • McElmurry, BA||Rivera-Rivera, LA||Scott, KW||Wang, Z||Leonov, II||Lucchese, RR||Bevan, JW

publication date

  • December 2012