Fourier transform microwave spectroscopy and molecular structure of the trans-1,2-difluoroethylene-hydrogen fluoride complex

Journal of Chemical Physics

Volumn 131, Issue 20, 2009, Pages

  Leung, Helen O ^a   Marshall, Mark D ^a   Amberger, Brent K ^a  

^a AMHERST COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; DIFLUOROETHYLENE; ELECTRON DENSITIES; ELECTROSTATIC POTENTIALS; FLUOROETHYLENE; FOURIER TRANSFORM MICROWAVE SPECTROSCOPY; HYDROGEN BONDING INTERACTIONS; HYDROGEN FLUORIDE; HYPERFINE CONSTANTS; MICROWAVE ROTATION; NATURAL ABUNDANCE; PROTIC ACIDS; SECONDARY INTERACTIONS; STERIC EFFECT;

ATOMS; BINDING SITES; COMPLEXATION; DEUTERIUM; ETHYLENE; HYDROGEN; HYDROGEN BONDS; LINEARIZATION; MICROWAVE SPECTROSCOPY; MICROWAVES;

FOURIER TRANSFORMS;

EID: 71549133407     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3246841     Document Type: Article

References (26)

1. G. C. Cole and A. C. Legon, Chem. Phys. Lett. 0009-2614 400, 419 (2004). 10.1016/j.cplett.2004.10.138
2. Z. Kisiel, P. W. Fowler, and A. C. Legon, J. Chem. Phys. 0021-9606 93, 3054 (1990). 10.1063/1.458839
3. A. C. Legon and P. Ottaviani, Phys. Chem. Chem. Phys. 1463-9076 4, 4103 (2002). 10.1039/b204264a
4. G. C. Cole and A. C. Legon, Chem. Phys. Lett. 0009-2614 369, 31 (2003). 10.1016/S0009-2614(02)01952-8 (Pubitemid 36136314)
5. M. Hayashi and T. Inagusa, J. Mol. Spectrosc. 0022-2852 138, 135 (1989). 10.1016/0022-2852(89)90106-9
6. H. O. Leung, M. D. Marshall, T. L. Drake, T. Pudlik, N. Savji, and D. W. McCune, J. Chem. Phys. 131, 204301 (2009).
7. Z. Kisiel, P. W. Fowler, and A. C. Legon, J. Chem. Soc., Faraday Trans. 0956-5000 88, 3385 (1992). 10.1039/ft9928803385
8. H. O. Leung and M. D. Marshall, J. Chem. Phys. 0021-9606 125, 154301 (2006). 10.1063/1.2356478 (Pubitemid 44601791)
9. H. O. Leung and M. D. Marshall, J. Chem. Phys. 0021-9606 126, 114310 (2007). 10.1063/1.2710276 (Pubitemid 46516354)
10. H. O. Leung, M. D. Marshall, W. T. Cashion, and V. L. Chen, J. Chem. Phys. 0021-9606 128, 064315 (2008). 10.1063/1.2828503 (Pubitemid 351264575)
11. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Revision E.01, Gaussian, Inc., Wallingford, CT, 2004.
12. N. C. Craig, P. Groner, D. C. McKean, and M. J. Tubergen, Int. J. Quantum Chem. 0020-7608 95, 837 (2003). 10.1002/qua.10616
13. G. Guelachvili, Opt. Commun. 0030-4018 19, 150 (1976). 10.1016/0030-4018(76)90408-9
14. A. Pošta, O. Paleta, and J. Voves, Collect. Czech. Chem. Commun. 0010-0765 39, 2801 (1974).
15. H. O. Leung, D. Gangwani, and J. U. Grabow, J. Mol. Spectrosc. 0022-2852 184, 106 (1997). 10.1006/jmsp.1997.7293
16. J. K. G. Watson, in Vibrational Spectra and Structure, edited by, J. R. Durig, (Elsevier, Amsterdam, 1977), pp. 1-89.
17. H. M. Pickett, J. Mol. Spectrosc. 0022-2852 148, 371 (1991). 10.1016/0022-2852(91)90393-O
18. J. S. Muenter and W. Klemperer, J. Chem. Phys. 0021-9606 52, 6033 (1970). 10.1063/1.1672903
19. J. A. Shea and W. H. Flygare, J. Chem. Phys. 0021-9606 76, 4857 (1982). 10.1063/1.442804
20. See EPAPS supplementary material http://dx.doi.org/10.1063/1.3246841 E-JCPSA6-131-042940 for tables of observed and calculated transition frequencies for all isotopomers of trans-1,2-difluoroethylene-HF in this study.
21. J. Kraitchman, Am. J. Phys. 0002-9505 21, 17 (1953). 10.1119/1.1933338
22. M. D. Harmony, V. W. Laurie, R. L. Kuczkowski, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, and A. G. Maki, J. Phys. Chem. Ref. Data 0047-2689 8, 619 (1979).
23. The value of the C=C bond length calculated from the substitution coordinates is 1.325 Å. Because of the slight differences in zero point motions among the isotopomers, it does not reproduce the literature value exactly.
24. F. C. DeLucia, P. Helminger, and W. Gordy, Phys. Rev. A 1050-2947 3, 1849 (1971). 10.1103/PhysRevA.3.1849
25. Z. Kisiel, J. Mol. Spectrosc. 0022-2852 218, 58 (2003). 10.1016/S0022-2852(02)00036-X
26. P. Hobza, H. L. Selzle, and E. W. Schlag, J. Phys. Chem. 0022-3654 100, 18790 (1996). 10.1021/jp961239y