A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the <sup>4</sup><em>A

doi:10.1088/0256-307X/32/1/013101

Chin. Phys. Lett.

2015, Vol. 32

Issue (01): 013101 DOI: 10.1088/0256-307X/32/1/013101

ATOMIC AND MOLECULAR PHYSICS

A New Reaction Path for the C+NO→CN+O Reaction: Effect of Reagent Rotation on the Stereodynamics on the ⁴A" Potential-Energy Surface

WEI Qiang^**

Department of Applied Physics, Chongqing University of Technology, Chongqing 400050

Cite this article:

WEI Qiang 2015 Chin. Phys. Lett. 32 013101

Download: PDF(589KB)
Export: BibTeX | EndNote | Reference Manager | ProCite | RefWorks

Abstract The stereodynamics of the C+NO reaction is investigated at 0.06 eV by means of the quasi-classical trajectory method on a recent ab initio ⁴A" potential energy surface (PES). The influences of rotation excitation (j=0–3) on stereodynamics are discussed. The obtained stereodynamical information is compared with the previously reported results on the ²A' and ²A" PESs to give a full insight into the chemical stereodynamics of the title reaction.

Published: 23 December 2014

PACS:	31.15.ap	(Polarizabilities and other atomic and molecular properties)
	31.15.at	(Molecule transport characteristics; molecular dynamics; electronic structure of polymers)
	34.50.Lf	(Chemical reactions)

TRENDMD:

URL:

https://cpl.iphy.ac.cn/10.1088/0256-307X/32/1/013101 OR https://cpl.iphy.ac.cn/Y2015/V32/I01/013101

Service
	E-mail this article
	E-mail Alert
	RSS
Articles by authors
	WEI Qiang

[1] Glarborg P et al 1998 Combust. Flame 115 1
[2] Boger G I and Sternberg A 2005 Astrophys. J. 632 302
[3] Jackson W M et al 1980 J. Photochem. 13 319
[4] Krause H F 1981 Chem. Phys. Lett. 78 78
[5] Dorthe G et al 1985 J. Chem. Phys. 83 3171
[6] Naulin C et al 1988 Laser Chem. 8 283
[7] Costes M et al 1989 J. Phys. E 22 1017
[8] Costes M et al 1990 Laser Chem. 10 367
[9] Costes M et al 1990 Astron. Astrophys. 232 270
[10] Naulin C et al 1991 Chem. Phys. 153 519
[11] Costes M et al J 1993 Chem. Soc. Faraday Trans. 89 1501
[12] Persson B J et al 1995 Chem. Phys. Lett. 234 382
[13] Simonson M et al 1995 Chem. Phys. 200 141
[14] Persson B J et al 1995 Mol. Phys. 84 619
[15] Andersson S et al 2000 Chem. Phys. 259 99
[16] Andersson S et al 2000 Phys. Chem. Chem. Phys. 2 613
[17] Abrahamsson E et al 2006 Chem. Phys. 324 507
[18] Andersson S et al 2003 J. Phys. Chem. A 107 5439
[19] Andersson S et al 2008 Phys. Chem. Chem. Phys. 10 4400
[20] Frankcombe T J and Andersson S 2012 J. Phys. Chem. A 116 4705
[21] Han K L, He G Z and Lou N Q 1996 J. Chem. Phys. 105 8699
[22] Wang M L, Han K L and He G Z 1998 J. Chem. Phys. 109 5446
[23] Wang M L, Han K L and He G Z 1998 J. Phys. Chem. A 102 10204
[24] Zhang X and Han K L 2006 Int. J. Quantum Chem. 106 1815
[25] Chen M D, Han K L and Lou N Q 2002 Chem. Phys. 283 463
[26] Chen M D, Han K L and Lou N Q 2003 J. Chem. Phys. 118 4463
[27] Ma J J and Cong S L 2009 J. At. Mol. Phys. 26 1081
[28] Ma J J, Zou Y and Liu H T 2013 Chin. Phys. B 22 063402
[29] Han K L, He G Z and Lou N Q 1989 Chin. J. Chem. Phys. 2 323
[30] Han K L, He G Z and Lou N Q 1987 Chin. Phys. Lett. 4 517
[31] Li R J et al 1994 Chem. Phys. Lett. 220 281
[32] Zhang W Q et al 2010 Chem. Phys. 367 115
[33] Liu S L and Shi Y 2011 Chin. Phys. B 20 013404
[34] Liu S L and Shi Y 2011 Chem. Phys. Lett. 501 197
[35] Zhang W Q et al 2009 J. Phys. Chem. A 113 4192
[36] Li X H et al 2009 Phys. Chem. Chem. Phys. 11 10438
[37] Wang Y H et al 2014 Chin. Phys. B 23 043401
[38] Wang L Z et al 2013 Chin. Phys. B 22 043101

Related articles from Frontiers Journals

[1]	Dong Yin, Yong-Hui Zhang, Cheng-Bin Li, Xian-Zhou Zhang. Magic Wavelengths for the $1S$–$2S$ and $1S$–$3S$ Transitions in Hydrogen Atoms[J]. Chin. Phys. Lett., 2016, 33(07): 013101
[2]	YU Wei-Wei, YU Rong-Mei, CHENG Yong-Jun. Tune-Out Wavelengths for the Rb Atom[J]. Chin. Phys. Lett., 2015, 32(12): 013101
[3]	TIAN Quan-Long, TANG Li-Yan, YAN Zong-Chao, SHI Ting-Yun. Static Dipole Polarizabilities for Low-Lying Rovibrational States of HD⁺[J]. Chin. Phys. Lett., 2015, 32(08): 013101
[4]	LI Hong-Zheng, LIU Xin-Guo, TAN Rui-Shan, HU Mei. Stereodynamics Study of Li+HF→LiF+H Reactions on X²A' Potential Energy Surface at Collision Energies below 5.00 kcal/mol[J]. Chin. Phys. Lett., 2015, 32(08): 013101
[5]	WEI Qiang . Theoretical Calculation of Vector Correlations of the Reaction D'(²S)+DS(X¹ Σ⁺)→S(¹D)+D₂[J]. Chin. Phys. Lett., 2013, 30(7): 013101
[6]	TAN Rui-Shan, LIU Xin-Guo, HU Mei. Stereodynamics Study of Li+HF/DF/TF→LiF+H/D/T Reactions on X²A' Potential Energy Surface[J]. Chin. Phys. Lett., 2012, 29(12): 013101
[7]	ZHANG Yong-Hui, TANG Li-Yan, ZHANG Xian-Zhou, SHI Ting-Yun, Jim Mitroy. Relativistic Quadrupole Polarizability for the Ground State of Hydrogen-Like Ions[J]. Chin. Phys. Lett., 2012, 29(6): 013101
[8]	CHENG Jie,YUE Xian-Fang,FENG Hai-Ran. Effect of Rotational Excitation on Stereodynamics for the Reactive Collision Between N(²D) and H₂**[J]. Chin. Phys. Lett., 2012, 29(4): 013101
[9]	CHEN Jia-Wu, LIU Xin-Guo, SUN Hai-Zhu, ZHANG Qing-Gang . Effect of Collision Energy on the Reactivity O⁺+T₂→OT⁺+T by the Quasiclassical Trajectory Method**[J]. Chin. Phys. Lett., 2011, 28(9): 013101
[10]	ZHAO Li, SUN Ping, LIU Chao-Zhuo* . Quasi-Classical Trajectory Calculations of Reaction Stereodynamics of H+OH( v = 0, j = 0)→H₂+O(³ P )[J]. Chin. Phys. Lett., 2011, 28(8): 013101
[11]	CHENG Jie, YUE Xian-Fang . Product Rotational Polarization in the Li+HF ( v=0, j=0) Reaction and Its Isotopic Variants**[J]. Chin. Phys. Lett., 2011, 28(8): 013101
[12]	WANG Tao, YUE Xian-Fang . QCT Calculations of Reactions of F+LiH→LiF+H and F+LiD→LiF+D: Product Polarization and Isotope Effects[J]. Chin. Phys. Lett., 2011, 28(2): 013101
[13]	XIAO Jing, YANG Chuan-Lu, WANG Mei-Shan, MA Xiao-Guang . Collision Energies Effect on Stereodynamics for Ne+H₂⁺→NeH⁺+H Reaction**[J]. Chin. Phys. Lett., 2011, 28(1): 013101
[14]	LIU Shi-Li, SHI Ying . Theoretical Study of Isotopic Effect of Oxygen Atom on the Stereodynamics for the O(³P)+ D₂ → OD+D Reaction[J]. Chin. Phys. Lett., 2010, 27(12): 013101
[15]	LIU Hui-Rong, LIU Xin-Guo, SUN Hai-Zhu, ZHANG Qing-Gang . Quasi-Classical Trajectory Study on Ar+H₂⁺/D₂⁺/T₂⁺ Reactions[J]. Chin. Phys. Lett., 2010, 27(10): 013101

Viewed

Full text

Abstract