Accession Number:

ADA272100

Title:

High Resolution Infrared Spectroscopy of Pyrazine and Naphthalene in a Molecular Bean

Descriptive Note:

Technical rept.,

Corporate Author:

CORNELL UNIV ITHACA NY DEPT OF CHEMISTRY

Report Date:

1993-10-26

Pagination or Media Count:

49.0

Abstract:

The high resolution infrared spectrum of pyrazine and naphthalene were measured in a molecular beam in the vicinity of the C-H stretching transition. The rotational structure in the spectrum of pyrazine from 3065-3073 cm reveals that the C-H stretch is coupled to one other vibrational mode in the molecule. The mode coupling is manifested in the spectrum as two overlapping vibrational bands. Each of these two bands are well modeled by an asymmetric toprigid rotor Hamiltonian. The lack of any angular momentum dependence on the coupling indicates that the vibrations are coupled by an anharmonic mechanism. The magnitude of the coupling matrix element was determined to be 0.36cm. The rotational structure in the spectrum of naphthalene from 3063-3067cm reveals that except for several local perturbations, the spectrum is well modeled by an asymmetric toprigid rotor Hamiltonian. The local perturbations include transitions that are split into doublets as well as transitions that have been shifted from their expected positions. The magnitude of the average coupling matrix element for the doublets was determined to be 0.0016cm. A comparison between the vibrational mode coupling in pyrazine and naphthalene indicates that mode coupling does not correlate with the density of states in the two molecules.

Subject Categories:

  • Organic Chemistry
  • Physical Chemistry
  • Atomic and Molecular Physics and Spectroscopy
  • Mechanics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE