Vibrational effects on the reaction of N O2+ with C2 H2: Effects of bending and bending angular momentum

Journal of Chemical Physics

Volumn 128, Issue 11, 2008, Pages

  Boyle, Jason M ^a   Uselman, Brady W ^a   Liu, Jianbo ^a,b   Anderson, Scott L ^a  

^a UNIVERSITY OF UTAH   (United States)

^b CITY UNIVERSITY OF NEW YORK   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIMODAL DEPENDENCE; COLLISION ENERGY; EXOERGIC REACTION; VIBRATIONAL EXCITATION;

ANGULAR MOMENTUM; BENDING (DEFORMATION); MOLECULAR DYNAMICS; REACTION KINETICS;

ELECTRONIC STATES;

EID: 41049083370     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2889953     Document Type: Article

References (19)

1. R. J. Green, H.-T. Kim, J. Qian, and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1288519 113, 4158 (2000).
2. J. Liu, B. W. Uselman, J. M. Boyle, and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2229207 125, 133115 (2006).
3. J. Liu, B. Van Devener, and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 123, 204313/1 (2005); J. Liu, K. Song, W. L. Hase, and S. L. Anderson, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp052615u 109, 11376 (2005); J. Liu, B. Van Devener, and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1822921 121, 11746 (2004); J. Liu, B. Uselman, B. Van Devener, and S. L. Anderson, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp040352i 108, 9945 (2004); J. Liu, K. Song, W. L. Hase, and S. L. Anderson, J. Am. Chem. Soc. JACSAT 0002-7863 10.1021/ja048635b 126, 8602 (2004); J. Liu and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1695311 120, 8528 (2004); J. Liu, K. Song, W. L. Hase, and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1588634 119, 3040 (2003).
4. B. J. Orr, Chem. Phys. CMPHC2 0301-0104 10.1016/0301-0104(94)00279-J 190, 261 (1995); A. E. Depristo and L. C. Geiger, Surf. Sci. SUSCAS 0039-6028 10.1016/0039-6028(86)90046-4 176, 425 (1986); D. C. Clary, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.441827 75, 209 (1981).
5. C. Kreher, R. Theinl, and K.-H. Gericke, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.471713 104, 4481 (1996).
6. B. Uselman, J. Liu, J. Boyle, and S. Anderson, J. Phys. Chem. JPCHAX 0022-3654 110, 1278 (2006).
7. Y.-H. Chiu, H. Fu, J.-T. Huang, and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.468907 102, 1199 (1995).
8. J. Liu, H.-T. Kim, and S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1370943 114, 9797 (2001).
9. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, and J. A. Pople, GAUSSIAN 03 (Gaussian, Inc., Pittsburgh PA, 2003).
10. L. Zhu and W. L. Hase, QCPE 644, a general RRKM program (Chemistry Department, University of Indiana, Bloomington, 1993).
11. S. G. Lias, in NIST Standard Reference Database Number 69, edited by, P. J. Linstrom, and, W. G. Mallard, (National Institute of Standards and Technology, Gaithersburg, MD, 2003); http://webbook.nist.gov.
12. A. Ding, A. Henglein, and K. Lacmann, Z. Naturforsch. A ZENAAU 0044-3166 23, 779 (1968).
13. G. A. Fisk, J. D. McDonald, and D. R. Herschbach, Discuss. Faraday Soc. DFSOAW 0014-7664 44, 228 (1967).
14. F. Bernardi, F. Cacace, G. de Petris, F. Pepi, I. Rossi, and A. Troiani, Chem.-Eur. J. CEUJED 0947-6539 10.1002/(SICI)1521-3765(20000204)6:3<537::AID- CHEM537>3.0.CO;2-I 6, 537 (2000).
15. L. Zhu and W. L. Hase, Quant. Chem. Prog. Exchange, QCPE 644, a general RRKM program (Quantum Chemistry Program Exchange, Bloomington, IN, 1993).
16. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure IV. Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
17. E. R. Grant, J. Mol. Spectrosc. JMOSA3 0022-2852 10.1006/jmsp.1996.0023 175, 203 (1996).
18. S. L. Anderson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481146 112, 5717 (2000).
19. S. G. Lias, J. E. Bartmess, J. F. Liebman, J. L. Holmes, R. D. Levin, and W. G. Mallard, in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, edited by, W. G. Mallard, and, P. J. Linstrom, (National Institute of Standards and Technology, Gaithersburg, MD, 2000); http://webbook.nist.gov.