Spectra of isotopically mixed benzene trimers

Journal Article · Wed Feb 01 04:00:00 EST 1989 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.456124· OSTI ID:6549017

Boernsen, K O; Lin, S H; Selzle, H L; Schlag, E W

Isotopically mixed jets of benzene produced important new detailed structural results from the various possible isotopic benzene trimers in a supersonic jet. From different isotopic spectral shifts, a detailed and consistent model of the interaction between the three benzene molecules can be inferred. The splitting of the 0--0 transition of isotopically mixed trimers can be predicted from this model. This model is consistent with a ''zig--zag'' structure for the trimer, not a cyclic structure. In contrast to the dimer spectra, van der Waals modes were observed. We also discovered an important, new exciton splitting in the van der Waals modes. This splitting demonstrates for the first time that the van der Waals modes are uncoupled from molecular vibrations. Furthermore, it is a sensitive indicator of the identity of the molecules so coupled. The spectra of higher benzene clusters (dimer to pentamer) have also been measured.

• Research Organization: Institute for Physical and Theoretical Chemistry, Technical University of Munich, 8046 Garching, West Germany
• OSTI ID: 6549017
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 90:3; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400202* -- Isotope Effects
Isotope Exchange
& Isotope Separation
ABSORPTION SPECTRA
ADDUCTS
AGGLOMERATION
AROMATICS
BENZENE
DEUTERIUM
HYDROCARBONS
HYDROGEN ISOTOPES
ISOTOPE EFFECTS
ISOTOPES
LIGHT NUCLEI
NUCLEI
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
SPECTRA
STABLE ISOTOPES
VAN DER WAALS FORCES