Microwave spectrum of the OD-OH2 complex: A strong deuterium isotope effect on angular momentum quenching in the hydroxyl moiety

Journal of Molecular Spectroscopy

Volumn 253, Issue 1, 2009, Pages 35-40

  Wu, Shenghai ^a   Sedo, Galen ^a   Leopold, Kenneth R ^a  

^a UNIVERSITY OF MINNESOTA   (United States)

Author keywords

Hydroxyl radical; Microwave spectrum; OH H2O complex; Radical complex

Indexed keywords

ANGULAR MOMENTUM; ELECTRIC FIELDS; FOURIER TRANSFORMS; HYDROGEN; MICROWAVE SPECTROSCOPY; MICROWAVES; MOLECULAR SPECTROSCOPY; QUENCHING;

AXIAL COMPONENTS; BOND AXIS; DEUTERATION; DEUTERIUM ISOTOPE EFFECTS; ELECTRIC QUADRUPOLE; ENERGY DIFFERENCES; ENERGY SPACINGS; FOURIER TRANSFORM MICROWAVE SPECTROSCOPIES; HYDROGEN-BONDED COMPLEXES; HYDROXYL MOIETIES; HYDROXYL RADICAL; MAGNETIC HYPERFINE STRUCTURES; MICROWAVE SPECTRUM; MICROWAVE SPECTRUMS; OH-H2O COMPLEX; ORBITAL ANGULAR MOMENTUMS; PARTIAL QUENCHING; QUADRUPOLE COUPLING CONSTANTS; RADICAL COMPLEX; SPECTROSCOPIC MODELS;

DEUTERIUM;

EID: 57249088961     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2008.09.012     Document Type: Article

References (41)

1. Hansen J.C., and Francisco J.S. Chem. Phys. Chem. 3 (2002) 833
2. Aloisio S., and Francisco J.S. Acc. Chem. Res. 33 (2000) 825
3. Wolfrum J. Faraday Discuss. 119 (2001) 1 10.1039/b107878j
4. Westbrook C.K. Combust. Flame 46 (1982) 191
5. Langford V.S., McKinley A.J., and Quickenden T.I. J. Am. Chem. Soc. 122 (2000) 12859
6. Cooper P.D., Kjaergaard H.G., Langford V.S., McKinley A.J., Quickenden T.I., and Schofield D.P. J. Am. Chem. Soc. 125 (2003) 6048
7. Engdahl A., Karlström G., and Nelander B. J. Chem. Phys. 118 (2003) 7797
8. Brauer C.S., Sedo G., Grumstrup E.M., Leopold K.R., Marshall M.D., and O Leung H. Chem. Phys. Lett. 401 (2005) 420
9. Ohshima Y., Sato K., Sumiyoshi Y., and Endo Y. J. Am. Chem. Soc. 127 (2005) 1108
10. Brauer C.S., Sedo G., Dahlke E., Wu S., Grumstrup E., Leopold K.R., Marshall M.D., Leung H.O., and Truhlar D.G. J. Chem. Phys. 129 (2008) 104304
11. Cabral do Couto P., Guedes R.C., Costa Cabral B.J., and Martinho Simões J.A. J. Chem. Phys. 119 (2003) 7344
12. Kim K.S., Kim H.S., Jang J.H., Kim H.S., Mhin B.-J., Xie Y., and Schaefer III H.F. J. Chem. Phys. 94 (1991) 2057
13. Xie Y., and Schaefer III H.F. J. Chem. Phys. 98 (1993) 8829
14. Wang B., Hou H., and Gu Y. Chem. Phys. Lett. 303 (1999) 96
15. Zhou Z., Qu Y., Fu A., Du B., He F., and Gao H. Int. J. Quantum Chem. 89 (2002) 550
16. Schofield D.P., and Kjaergaard H.G. J. Chem. Phys. 120 (2004) 6930
17. Dong X.-L., Zhou Z.-Y., Tian L.-J., and Zhao G. Int. J. Quantum Chem. 102 (2005) 461
18. Crawford T.D., Abrams M.L., King R.A., Lane J.R., Schofield D.P., and Kjaergaard H.G. J. Chem. Phys. 125 (2006) 204302
19. Allodi MA., Dunn M.E., Livada J., Kirschner K.N., and Shields G.C. J. Phys. Chem. A 110 (2006) 13283
20. Du S., Francisco J.S., Schenter G.K., Iordanov T.D., Garrett B.C., Dupuis M., and Li J. J. Chem. Phys. 124 (2006) 224318
21. McCabe D.C., Rajakumar B., Marshall P., Smith I.W.M., and Ravishankara A.R. Phys. Chem. Chem. Phys. 8 (2006) 4563
22. Lai C.-H., and Chou P.-T. J. Comp. Chem 28 (2007) 1357
23. Uchimaru T., Chandra A.K., Tsuzuki S., Sugie M., and Sekiya A. J. Comp. Chem. 24 (2003) 1538
24. Marshall M.D., and Lester M.I. J. Chem. Phys. 121 (2004) 3019
25. Marshall M.D., and Lester M.I. J. Phys. Chem. B 109 (2005) 8400
26. Phillips J.A., Canagaratna M., Goodfriend H., Grushow A., Almlöf J., and Leopold K.R. J. Am. Chem. Soc. 117 (1995) 12549
27. J.A. Phillips, Ph.D. Thesis, University of Minnesota, 1996.
28. Wu S., Dupré P., Rupper P., and Miller T.A. J. Chem. Phys. 127 (2007) 224305
29. Mills P.D.A., Western C.M., and Howard B.J. J. Phys. Chem. 90 (1986) 3331
30. Dennis C.R., Whitham C.J., and Howard B.J. J. Chem. Phys. 115 (2001) 1367
31. Brown J.M., and Carrington A. Rotational Spectroscopy of Diatomic Molecules (2003), Cambridge University Press, Cambridge
32. Brown J.M., Schubert J.E., Brown C.E., Geiger J.S., and Smith D.R. J. Mol. Spectrosc. 114 (1985) 185
33. NIST Physical Reference Data: http://physics.nist.gov/PhysRefData/MolSpec/Diatomic/Html/Tables/OH.html.
34. Read W.G., Campbell E.J., and Henderson G. J. Chem. Phys. 78 (1983) 3501
35. Brown J.M., Zink L.R., Jennings D.A., Evenson K.M., Hinz A., and Nolt I.G. ApJ 307 (1986) 410
36. Comben E.R., Brown J.M., Steimle T.C., Leopold K.R., and Evenson K.M. ApJ 305 (1986) 513
37. Brown J.M., and Schubert J.E. J. Mol. Spectrosc. 95 (1982) 194
38. Within the two state model, mixing of the Λ = +1 and Λ = -1 states associated with the angular momentum quenching does not change the electric field gradient along the OD bond axis.
39. Legon A.C., and Willoughby L.C. Chem. Phys. Lett. 92 (1982) 333
40. 2 is accurate to within 3.2% for angles less than 30°, and 1.5% for angles less than 25°.
41. Wu S., Sedo G., Grumstrup E.M., and Leopold K.R. J. Chem. Phys. 127 (2007) 204315