Rotational coherence spectroscopy and structure of naphthalene trimer

Journal Article · Thu Mar 18 04:00:00 EST 1999 · Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory

DOI:https://doi.org/10.1021/jp984636c· OSTI ID:351495

Benharash, P; Gleason, M J; Felker, P M ^[1]

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1. Univ. of California, Los Angeles, CA (United States). Dept. of Chemistry and Biochemistry

The authors present the results of rotational coherence spectroscopy (RCS) experiments on jet-cooled naphthalene trimer. The RCS results, obtained by mass-selective, time-resolved ionization depletion, indicate that the species is an oblate symmetric top with rotational constants B = 167 {+-} 1 MHz and C = 141 {+-} 1 MHz. These constants are consistent with a cluster in which the long axes of three cyclically-arranged, symmetrically equivalent naphthalene moieties are parallel to one another and to the symmetry axis of the cluster. The distances between the centers of mass of the moieties in this structure are determined to be 4.925 {+-} 0.020 {angstrom} from the rotational constants. The results are consistent with ab initio and empirical force-field calculations of the species` structure (see Gonzalez and Lim, preceding Letter) and with the results of prior vibrational and vibronic spectroscopic studies.

• Sponsoring Organization: National Science Foundation, Washington, DC (United States); USDOE, Washington, DC (United States)
• DOE Contract Number: FG03-89ER14066
• OSTI ID: 351495
• Journal Information: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory, Journal Name: Journal of Physical Chemistry A: Molecules, Spectroscopy, Kinetics, Environment, amp General Theory Journal Issue: 11 Vol. 103; ISSN 1089-5639; ISSN JPCAFH
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BOND LENGTHS
MOLECULAR MODELS
MOLECULAR STRUCTURE
NAPHTHALENE
POLYMERS
QUANTUM MECHANICS
ROTATIONAL STATES
SPECTROSCOPY
VALIDATION