Effect of Reagent Vibrational Excitation on Product Rotational Polarization in Reactions Li + DF (v=0-3, j=0) → LiF(v', j') + D

Abstract:

A quasiclassical trajectory calculation is carried out to investigate the effect of reagent vibrational excitation on product rotational polarization in the reactions Li + DF (v=0-3, j=0) ---> LiF(v', j') + D. It is found that the reagent vibational excitation highly enhanced the product rotational alignment, however, the enhancement is not monotonically increasing with the gradual increase of the vibrational quantum number from v=0 to v=3. The product rotational orientation varies from the negative to positive direction of y axis with the increasing vibrational quantum number from v=0 to v=3.

• Periodical: Advanced Materials Research (Volumes 781-784)
• Pages: 9-13
• DOI: https://doi.org/10.4028/www.scientific.net/AMR.781-784.9
• Online since: September 2013
• Authors: Jie Cheng, Xian Fang Yue
• Keywords: Polarization, Quasiclassical Trajectory, Vibrational Excitation

References

[1] H.J. Loesch and F. Stienkemeier: J. Chem. Phys. Vol. 98 (1993), p.9570.

[2] F. J. Aoiz, E. Verdasco, V. Saez Rabanos, H.J. Loesch, M. Menendez and F. Stienkemeier: Phys. Chem. Chem. Phys. Vol. 2 (2000), p.541.

[3] C.H. Becker, P. Casavecchia, P.W. Tiedemann, J.J. Valentini and Y.T. Lee: J. Chem. Phys. Vol. 73 (1980), p.2833.

[4] A.J. Hudson, H.B. Oh, J.C. Polanyi and P. Piecuch: J. Chem. Phys. Vol. 113 (2000), p.9897.

[5] R. Bobbenkamp, H.J. Loesch, M. Mudrich and F. Stienkemeier: J. Chem. Phys. Vol. 135 (2011), p.204306.

[6] G.A. Parker, A. Laganà, S. Crocchianti and R.T. Pack: J. Chem. Phys. Vol. 102 (1995), p.1238.

[7] A. Aguado, M. Paniagua, M. Lara and O. Roncero: J. Chem. Phys. Vol. 106 (1997), p.1013.

[8] A.W. Jasper, M.D. Hack, D.G. Truhlar and P. Piecuch: J. Chem. Phys. Vol. 116 (2002), p.8353.

[9] X. -F. Yue and M. -S. Wang: Chem. Phys. Vol. 405 (2012), p.155.

[10] J. Cheng and X. -F. Yue: Chin. Phys. Lett. Vol. 28 (2011), p.083102.

[11] X. -F. Yue: Chin. Phys. B Vol. 21 (2012), p.073401.

[12] A.W. Jasper, M.D. Hack, A. Chakraborty, D.G. Truhlar and P. Piecuch: J. Chem. Phys. Vol. 115 (2001), p.7945.

[13] M. Lara, A. Aguado, O. Roncero and M. Paniagua: J. Chem. Phys. Vol. 109 (1998), p.9391.

[14] A. Zanchet, O. Roncero, T. González-Lezana, A. Rodríguez-López, A. Aguado, C. Sanz-Sanz and S. Gómez-Carrasco: J. Phys. Chem. A Vol. 113 (2009), p.14488.

DOI: 10.1021/jp9038946

[15] L. González-Sánchez, O. Vasyutinskii, A. Zanchet, C. Sanz-Sanz and O. Roncero: Phys. Chem. Chem. Phys. Vol. 13 (2011), p.13656.

DOI: 10.1039/c0cp02452j

[16] K.L. Han, G.Z. He and N.Q. Lou: J. Chem. Phys. Vol. 105 (1996), p.8699.

[17] M.L. Wang, K.L. Han and G.Z. He: J. Phys. Chem. A Vol. 102 (1998), p.20204.

[18] K.L. Han, L. Zhang, D.L. Xu, G.Z. He and N.Q. Lou: J. Phys. Chem. A Vol. 105 (2001), p.2956.

[19] X. Zhang and K.L. Han: Int. J. Quant. Chem. Vol. 106 (2006), p.1815.