Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm-1 and new assignments of bands 2 ν 9 and ν 5

Journal of Chemical Physics

Volumn 142, Issue 21, 2015, Pages

  Huang, Yu Hsuan ^a   Li, Jun ^b,c   Guo, Hua ^c   Lee, Yuan Pern ^a,d  

^a NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

^b CHONGQING UNIVERSITY   (China)

^c UNIVERSITY OF NEW MEXICO   (United States)

^d INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ATMOSPHERIC CHEMISTRY; INFRARED SPECTROSCOPY; LIGHT ABSORPTION; POTENTIAL ENERGY; QUANTUM CHEMISTRY; QUANTUM THEORY; SPECTROSCOPY;

COMBINATION BANDS; CRIEGEE INTERMEDIATES; QUANTUM-MECHANICAL CALCULATION; RELATIVE INTENSITY; ROTATIONAL PARAMETERS; ROTATIONAL STRUCTURES; VIBRATIONAL WAVENUMBERS; VIBRATIONALLY EXCITED STATE;

VIBRATIONS (MECHANICAL);

EID: 84930670915     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4921731     Document Type: Article

References (35)

1. O. Welz, J. D. Savee, D. L. Osborn, S. S. Vasu, C. J. Percival, D. E. Shallcross, and C. A. Taatjes, Science 335, 204 (2012). 10.1126/science.1213229
2. R. Criegee, G. Wenner, and Justus Liebigs, Ann. Chem. 564, 9 (1949). 10.1002/jlac.19495640103
3. J. G. Calvert, R. Atkinson, J. A. Kerr, and S. Madroni, The Mechanisms of Atmospheric Oxidation of the Alkenes (Oxford University Press, USA, 2000).
4. O. Horie and G. K. Moortgat, Acc. Chem. Res. 31, 387 (1998). 10.1021/ar9702740
5. D. Johnson and G. Marston, Chem. Soc. Rev. 37, 699 (2008). 10.1039/b704260b
6. W. Sander, Angew. Chem., Int. Ed. 29, 344 (1990). 10.1002/anie.199003441
7. W. H. Bunnelle, Chem. Rev. 91, 335 (1991). 10.1021/cr00003a003
8. S. Hatakeyama and H. Akimoto, Res. Chem. Intermed. 20, 503 (1994). 10.1163/156856794X00432
9. J. M. Beames, F. Liu, L. Lu, and M. I. Lester, J. Am. Chem. Soc. 134, 20045 (2012). 10.1021/ja310603j
10. L. Sheps, J. Phys. Chem. Lett. 4, 4201 (2013). 10.1021/jz402191w
11. W.-L. Ting, Y.-H. Chen, W. Chao, M. C. Smith, and J. J.-M. Lin, Phys. Chem. Chem. Phys. 16, 10438 (2014). 10.1039/c4cp00877d
12. Y.-T. Su, Y.-H. Huang, H. A. Witek, and Y.-P. Lee, Science 340, 174 (2013). 10.1126/science.1234369
13. M. Nakajima and Y. Endo, J. Chem. Phys. 139, 101103 (2013). 10.1063/1.4821165
14. M. C. McCarthy, L. Cheng, K. N. Crabtree, O. Martinez, T. L. Nguyen, C. C. Womack, and J. F. Stanton, J. Phys. Chem. Lett. 4, 4133 (2013). 10.1021/jz4023128
15. M. Nakajima, Q. Yue, J. Li, H. Guo, and Y. Endo, Chem. Phys. Lett. 621, 129 (2015). 10.1016/j.cplett.2014.12.039
16. A. M. Daly, B. J. Drouin, and S. Yu, J. Mol. Spectrosc. 297, 16 (2014). 10.1016/j.jms.2014.01.002
17. J. Li, S. Carter, J. M. Bowman, R. Dawes, D. Xie, and H. Guo, J. Phys. Chem. Lett. 5, 2364 (2014). 10.1021/jz501059m
18. J. C. Mössinger, D. E. Shallcross, and R. A. Cox, J. Chem. Soc., Faraday Trans. 94, 1391 (1998). 10.1039/a709160e
19. J. M. Bowman, S. Carter, and X. Huang, Int. Rev. Phys. Chem. 22, 533 (2003). 10.1080/0144235031000124163
20. J. Li, B. Jiang, and H. Guo, J. Chem. Phys. 139, 204103 (2013). 10.1063/1.4832697
21. B. Jiang and H. Guo, J. Chem. Phys. 139, 054112 (2013). 10.1063/1.4817187
22. J. M. Bowman, Acc. Chem. Res. 19, 202 (1986). 10.1021/ar00127a002
23. M. A. Ratner and R. B. Gerber, J. Phys. Chem. 90, 20 (1986). 10.1021/j100273a008
24. J. K. G. Watson, Mol. Phys. 15, 479 (1968). 10.1080/00268976800101381
25. R. N. Zare, Angular Momentum: Understanding Spatial Aspects in Chemistry and Physics (John Wiley & Sons, Inc., New York, 1988).
26. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., gaussian 09, Version 7.0, Gaussian, Inc., Wallingford, CT, 2009.
27. A. D. Becke, J. Chem. Phys. 98, 5648 (1993). 10.1063/1.464913
28. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 10.1103/PhysRevB.37.785
29. T. H. Dunning, J. Chem. Phys. 90, 1007 (1989). 10.1063/1.456153
30. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993). 10.1063/1.464303
31. 2OO in its vibrationally excited states and the ratios of a -, b -, and c -types for the corresponding transitions derived from experiments and calculations.
32. C. M. Western, PGOPHER, a Program for Simulating Rotational Structure, version 8.0.282, University of Bristol, 2014, http://pgopher.chm.bris.ac.uk.
33. D. Toffoli, M. Sparta, and O. Christiansen, Mol. Phys. 109, 673 (2011). 10.1080/00268976.2010.547522
34. F. Pfeiffer and G. Rauhut, J. Phys. Chem. A 115, 11050 (2011). 10.1021/jp2064062
35. Y.-H. Huang and Y.-P. Lee, J. Chem. Phys. 141, 164302 (2014). 10.1063/1.4897982