MICROWAVE SPECTRA OF DEUTERIUM ISOTOPOLOGUES OF cisHEXATRIENE NORMAN
- Slides: 13
MICROWAVE SPECTRA OF DEUTERIUM ISOTOPOLOGUES OF cis-HEXATRIENE NORMAN C. CRAIG, VINCENT A. ALESSI, YIHUI CHEN, HENRIK EHRHARDT, EMERSON E. FRENCH, HANNAH A. FUSON, HENGFENG TIAN, and HERMAN VAN BESIEN, Department of Chemistry and Biochemistry, Oberlin College, Oberlin, OH 44074 ANDREW R. CONRAD and MICHAEL J. TUBERGEN, Department of Chemistry, Kent State University, Kent, OH 44242
Preliminaries
Deuterium isotopologues of cis-hexatriene (c. HTE) investigated; 13 C species from previous worka cis-1 -d 1 a trans-1 -d 1 Suenram, R. D. ; Pate, B. H. ; Lesarri, A. ; Neill, J. L. ; Shipman, S. ; Holmes, R. A. ; Leyden, M. C. ; Craig, N. C. J. Phys. Chem. A 2009, 113, 1864 -1868.
MW lines for c. HTE-1, 1 -d 2
Rotational constants for c. HTE from MW spectroscopy
Rotational constants for c. HTE from MW spectroscopy
A selection of rotational constants for c. HTE
Conclusions Various deuterium isotopologues of c. HTE have been synthesized. Rotational constants have been obtained for these species by MW spectroscopy. Calculated 1/2 alpha sums have given equilibrium rotational constants for 13 C and 2 H species. Kraitchman equations have given an rs/re structure. The structure of c. HTE shows greater effects of electron delocalization than does butadiene.
Acknowledgements Peter Groner, University of Missouri-Kansas City. Dreyfus Foundation, Senior Scientist Mentor grant. Oberlin College, Department of Chemistry and Biochemistry. Kent State University, Department of Chemistry. National Science Foundation for support of the Beowulf computer cluster at Oberlin College.
