Heavy atom nitroxyl radicals. IV. Experimental and theoretical studies of the F2P=S free radical in the gas phase

Journal of Chemical Physics

Volumn 131, Issue 22, 2009, Pages

  Yang, Jie ^a   Clouthier, Dennis J ^a   Tarroni, Riccardo ^b  

^a UNIVERSITY OF KENTUCKY   (United States)

^b UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO PREDICTION; BAND SYSTEMS; DISCHARGE JET; DOUBLET STATE; ELECTRONIC TRANSITION; FRANCK-CONDON; GASPHASE; HEAVY ATOMS; HIGH PRESSURE; LASER INDUCED FLUORESCENCE; NITROXYL RADICAL; OUT-OF-PLANE; PRECURSOR MIXTURE; ROTATIONAL BAND CONTOURS; SINGLE VIBRONIC LEVELS; THEORETICAL PREDICTION; THEORETICAL STUDY; VIBRATIONAL FREQUENCIES; VIBRATIONAL STRUCTURES;

ARGON; BOND LENGTH; EMISSION SPECTROSCOPY; FORECASTING; FREE RADICALS;

SUPERSONIC AERODYNAMICS;

EID: 72449210185     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3270160     Document Type: Article

References (18)

1. A. R. Forrester, J. M. Hay, and R. H. Thomson, Organic Chemistry of Stable Free Radicals (Academic, New York, 1968).
2. E. G. Rozantsev, Free Nitroxyl Radicals (Plenum, New York, 1970).
3. R. Tarroni and D. J. Clouthier, J. Chem. Phys. 0021-9606 131, 114310 (2009).
4. S. He, F. X. Sunahori, J. Yang, and D. J. Clouthier, J. Chem. Phys. 0021-9606 131, 114311 (2009).
5. J. Yang, D. J. Clouthier and R. Tarroni, J. Chem. Phys. 0021-9606 131, 204307 (2009).
6. H. Harjanto, W. W. Harper, and D. J. Clouthier, J. Chem. Phys. 0021-9606 105, 10189 (1996). 10.1063/1.472962
7. C. W. Tullock and D. D. Coffman, J. Org. Chem. 0022-3263 25, 2016 (1960). 10.1021/jo01081a050
8. D. L. Michalopoulos, M. E. Geusic, P. R. R. Langridge-Smith, and R. E. Smalley, J. Chem. Phys. 0021-9606 80, 3556 (1984). 10.1063/1.447201
9. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision C.02, Gaussian, Inc., Wallingford, CT, 2004.
10. A. D. Becke, J. Chem. Phys. 0021-9606 98, 5648 (1993). 10.1063/1.464913
11. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 0163-1829 37, 785 (1988). 10.1103/PhysRevB.37.785
12. J. F. Stanton, J. Gauss, J. D. Watts, P. G. Szalay, and R. J. Bartlett, with contributions from A. A. Auer, D. E. Bernholdt, O. Christiansen, M. E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Juślius, W. J. Lauderdale, T. Metzroth, C. Michauk, D. P. O'Neill, D. R. Price, K. Ruud, F. Schiffmann, M. E. Varner, J. Vázquez, and the integral packages MOLECULE (J. Almlöf and P. R. Taylor), PROPS (P. R. Taylor), and ABACUS (T. Helgaker, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen). For the current version, see http://www.aces2.de.
13. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 0021-9606 103, 4572 (1995) 10.1063/1.470645;
14. T. H. Dunning, Jr., K. A. Peterson, and A. K. Wilson, J. Chem. Phys. 0021-9606 114, 9244 (2001). 10.1063/1.1367373 (Pubitemid 32535594)
15. D. -S. Yang, M. Z. Zgierski, A. B́rces, P. A. Hackett, P. N. Roy, A. Martinez, T. Carrington, Jr., D. R. Salahub, R. Fournier, T. Pang, and C. Chen, J. Chem. Phys. 0021-9606 105, 10663 (1996). 10.1063/1.472873
16. E. V. Doktorov, I. A. Malkin, and V. I. Man'ko, J. Mol. Spectrosc. 0022-2852 64, 302 (1977). 10.1016/0022-2852(77)90269-7
17. See EPAPS supplementary material http://dx.doi.org/10.1063/1.3270160 E-JCPSA6-131-039947 for a table of the observed LIF transitions including those without assignments.
18. G. Herzberg, Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules (Van Nostrand, New York, 1966), p. 142.