Infrared Spectroscopy of the Tropyl Radical in Helium Droplets

Kaufmann, Matin; Leicht, Daniel; Havenith, Martina; Broderick, Bernadette M.; Douberly, Gary E.

doi:10.1021/acs.jpca.6b06522

Infrared Spectroscopy of the Tropyl Radical in Helium Droplets

Journal Article · Tue Aug 16 00:00:00 EDT 2016 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI:https://doi.org/10.1021/acs.jpca.6b06522· OSTI ID:1409059

Kaufmann, Matin ^[1]; Leicht, Daniel ^[2]; Havenith, Martina ^[2]; Broderick, Bernadette M. ^[3]; ^[3]

Ruhr-Univ. Bochum, Bochum (Germany); University of Georgia, Athens, GA
Ruhr-Univ. Bochum, Bochum (Germany)
Univ. of Georgia, Athens, GA (United States)

Here, the infrared spectrum of the $$\tilde{X}$$²E₂" tropyl radical has been recorded in the range of the CH-stretch vibrational modes using the helium droplet isolation technique. Two bands are observed at 3053 and 3058 cm^–1. The electronic degeneracy of the ground state results in a Jahn–Teller interaction for two of the CH-stretch modes, i.e., first-order interaction for E₃' symmetry modes and second-order interaction for E₂' symmetry modes. The experimentally observed bands are assigned to the E₁' and E₃' CH-stretch modes. The E₁' mode is infrared-active, whereas the E₃' mode is inactive in the absence of the Jahn–Teller interaction. The transition to the upper component of the Jahn–Teller split E₃' mode gains intensity via vibronic coupling, giving rise to the second experimentally observed band.

View Accepted Manuscript (DOE)

Research Organization:: Univ. of Georgia Research Foundation, Athens, GA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0008086

OSTI ID:: 1409059

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 34 Vol. 120; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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