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Stereodynamics study of Li+HF (v = 0–3,j = 0)→LiF+H reaction

Tan Rui-Shan Liu Xin-Guo Hu Mei

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Stereodynamics study of Li+HF (v = 0–3,j = 0)→LiF+H reaction

Tan Rui-Shan, Liu Xin-Guo, Hu Mei
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  • The detailed stereodynamics of the reaction Li+HF(v=0–3) with different collision energy and in different vibration-excited state has been carried out by using the quasi-classical trajectory (QCT) method based on a new potential energy surface constructed by Aguado and Pariagua (Aguado and Paniagua J. Chem. Phys., Vol. 119, No. 19, 2003). The correlated k-j', k-k'-j' angular distributions and the polarization-dependent differential cross sections (PDDCSs) are discussed in detail. The results indicate that the collision energy has more impact on the P(θr) distributions describing the k-j' correlation than the vibration excitation. The distributions of P(φr) describing the k-k'-j' correlation, as well as the polarization-dependent generalized differential cross-sections, are sensitive to the vibration excitation. Meanwhile, the collision energy also has more influence on them.
    • Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 11274205, 11274206).
    [1]

    Xu W W, Liu X G, Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339

    [2]

    Liu X G, Sun H Z, Liu H R, Zhang Q G 2010 Acta Phys. Sin. 59 779 (in Chinese) [刘新国, 孙海竹, 刘会荣, 张庆刚 2010 物理学报 59 779]

    [3]

    Xiao J, Yang C L, Wang M S 2012 Chin. Phys. B 21 043101

    [4]

    Liu Y F, He X H, Shi D H, Sun J F 2011 Chin. Phys. B 20 078201

    [5]

    Xu W W, Liu X G, Luan S X, Zhang Q G 2009 Chem. Phys. 355 21

    [6]

    Kong H, Liu X G, Xu W W, Liang J J, Zhang Q G 2009 Acta Phys. Sin. 58 6926 (in Chinese) [孔浩, 刘新国, 许文武, 梁景娟, 张庆刚 2009 物理学报 58 6926]

    [7]

    Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192

    [8]

    Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115

    [9]

    Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579

    [10]

    Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403

    [11]

    Hobel O, Paladini A, Russo A, Bobbenkamp R, Loesch H J 2004 Phys. Chem. Chem. Phys. 6 2198

    [12]

    Herschbach D R 1996 Adv. Chem. Phys. 10 319

    [13]

    Odiorne T J, Brooks P R, Kasper J V V 1971 J. Chem. Phys. 55 1980

    [14]

    Pruett J G, Zare R N 1976 J. Chem. Phys. 64 1774

    [15]

    Karny Z, Estler R C, Zare R N 1978 J. Chem. Phys. 69 5199

    [16]

    Karny Z , Zare R N 1978 J. Chem. Phys. 68 3360

    [17]

    Bartoszek F E, Blackwell B A, Polanyi J C, Sloan J J 1981 J. Chem. Phys. 74 3400

    [18]

    Zhang R, Rakestraw D J, McKendrick K G, Zare R N 1988 J. Chem. Phys. 89 6283

    [19]

    Hoffmeister M, Schleysing R, Stienkemeier F, Loesch H J 1989 J. Chem. Phys. 90 3528

    [20]

    Aguado A, Paniagua M 1992 J. Chem. Phys. 96 1265

    [21]

    Suarez C, Aguado A, Tablero C, Paniagua M 1994 Int. J. Quantum Chem. 52 935

    [22]

    Becker C H, Casavecchia P, Tiedemann P W, Valentini J J, Lee Y T 1980 J. Chem. Phys. 73 2833

    [23]

    Aguado A, Sufirez C, Paniagua M 1995 Chem. Phys. 201 107

    [24]

    Aguado A, Paniagua M 1997 J. Chem. Phys. 106 1013

    [25]

    Yuan M H Zhao G J 2010 Int J Quantum Chem 110 1842

    [26]

    Wang T Yue X F 2011 Chin. Phys. Lett. 28 023101

    [27]

    Jasper A W, Hack M D, Truhlar D G 2002 J. Chem. Phys. 116 8353

    [28]

    Aguado A, Paniagua M 2003 J. Chem. Phys. 119 10088

    [29]

    Aoiz F J, Brouard M, Herrero V J, SaezRabanos V, Stark K 1997 Chem. Phys. Lett. 264 487

    [30]

    Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446

    [31]

    Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483

    [32]

    Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463

    [33]

    Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529

    [34]

    Brouard M, Lambert H M, Rayner S P, Simons J P 1996 Mol. Phys. 89 403

    [35]

    Li W L, Wang M S, Yang C L , Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93

    [36]

    Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964

    [37]

    Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699

    [38]

    Zhang X, Han K L 2006Int. Quantum Chem. 106 1815

    [39]

    Chu T S, Zhang Y, Han K L 2006 Int. Rev. Phys. Chem. 25 201

    [40]

    Han K L, He G Z, Lou N Q 1989 Chin. J. Chem. Phys. 2 323

    [41]

    Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281

    [42]

    Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204

  • [1]

    Xu W W, Liu X G, Luan S X, Sun S S, Zhang Q G 2009 Chin. Phys. B 18 339

    [2]

    Liu X G, Sun H Z, Liu H R, Zhang Q G 2010 Acta Phys. Sin. 59 779 (in Chinese) [刘新国, 孙海竹, 刘会荣, 张庆刚 2010 物理学报 59 779]

    [3]

    Xiao J, Yang C L, Wang M S 2012 Chin. Phys. B 21 043101

    [4]

    Liu Y F, He X H, Shi D H, Sun J F 2011 Chin. Phys. B 20 078201

    [5]

    Xu W W, Liu X G, Luan S X, Zhang Q G 2009 Chem. Phys. 355 21

    [6]

    Kong H, Liu X G, Xu W W, Liang J J, Zhang Q G 2009 Acta Phys. Sin. 58 6926 (in Chinese) [孔浩, 刘新国, 许文武, 梁景娟, 张庆刚 2009 物理学报 58 6926]

    [7]

    Zhang W Q, Cong S L, Zhang C H, Xu X S, Chen M D 2009 J. Phys. Chem. A 113 4192

    [8]

    Zhang W Q, Li Y Z, Xu X S, Chen M D 2010 Chem. Phys. 367 115

    [9]

    Duan L H, Zhang W Q, Xu X S, Cong S L, Chen M D 2009 Mol. Phys. 107 2579

    [10]

    Zhang C H, Zhang W Q, Chen M D 2009 J. Theor. Comput. Chem. 8 403

    [11]

    Hobel O, Paladini A, Russo A, Bobbenkamp R, Loesch H J 2004 Phys. Chem. Chem. Phys. 6 2198

    [12]

    Herschbach D R 1996 Adv. Chem. Phys. 10 319

    [13]

    Odiorne T J, Brooks P R, Kasper J V V 1971 J. Chem. Phys. 55 1980

    [14]

    Pruett J G, Zare R N 1976 J. Chem. Phys. 64 1774

    [15]

    Karny Z, Estler R C, Zare R N 1978 J. Chem. Phys. 69 5199

    [16]

    Karny Z , Zare R N 1978 J. Chem. Phys. 68 3360

    [17]

    Bartoszek F E, Blackwell B A, Polanyi J C, Sloan J J 1981 J. Chem. Phys. 74 3400

    [18]

    Zhang R, Rakestraw D J, McKendrick K G, Zare R N 1988 J. Chem. Phys. 89 6283

    [19]

    Hoffmeister M, Schleysing R, Stienkemeier F, Loesch H J 1989 J. Chem. Phys. 90 3528

    [20]

    Aguado A, Paniagua M 1992 J. Chem. Phys. 96 1265

    [21]

    Suarez C, Aguado A, Tablero C, Paniagua M 1994 Int. J. Quantum Chem. 52 935

    [22]

    Becker C H, Casavecchia P, Tiedemann P W, Valentini J J, Lee Y T 1980 J. Chem. Phys. 73 2833

    [23]

    Aguado A, Sufirez C, Paniagua M 1995 Chem. Phys. 201 107

    [24]

    Aguado A, Paniagua M 1997 J. Chem. Phys. 106 1013

    [25]

    Yuan M H Zhao G J 2010 Int J Quantum Chem 110 1842

    [26]

    Wang T Yue X F 2011 Chin. Phys. Lett. 28 023101

    [27]

    Jasper A W, Hack M D, Truhlar D G 2002 J. Chem. Phys. 116 8353

    [28]

    Aguado A, Paniagua M 2003 J. Chem. Phys. 119 10088

    [29]

    Aoiz F J, Brouard M, Herrero V J, SaezRabanos V, Stark K 1997 Chem. Phys. Lett. 264 487

    [30]

    Wang M L, Han K L, He G Z 1998 J. Chem. Phys. 109 5446

    [31]

    Chen M D, Han K L, Lou N Q 2002 Chem. Phys. Lett. 357 483

    [32]

    Chen M D, Han K L, Lou N Q 2003 J. Chem. Phys. 118 4463

    [33]

    Ma J J, Chen M D, Cong S L, Han K L 2006 Chem. Phys. 327 529

    [34]

    Brouard M, Lambert H M, Rayner S P, Simons J P 1996 Mol. Phys. 89 403

    [35]

    Li W L, Wang M S, Yang C L , Liu W W, Sun C, Ren T Q 2007 Chem. Phys. 337 93

    [36]

    Aoiz F J, Brouard M, Enriquez P A 1996 J. Chem. Phys. 105 4964

    [37]

    Han K L, He G Z, Lou N Q 1996 J. Chem. Phys. 105 8699

    [38]

    Zhang X, Han K L 2006Int. Quantum Chem. 106 1815

    [39]

    Chu T S, Zhang Y, Han K L 2006 Int. Rev. Phys. Chem. 25 201

    [40]

    Han K L, He G Z, Lou N Q 1989 Chin. J. Chem. Phys. 2 323

    [41]

    Li R J, Han K L, Li F E, Lu R C, He G Z, Lou N Q 1994 Chem. Phys. Lett. 220 281

    [42]

    Wang M L, Han K L, He G Z 1998 J. Phys. Chem. A 102 10204

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Publishing process
  • Received Date:  10 October 2012
  • Accepted Date:  21 November 2012
  • Published Online:  05 April 2013

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