Citation: | Kaito Takahashi. Theoretical Study on Direction of Vibrational Transition Dipole Moment of XH Stretching Vibration in HXD[J]. Chinese Journal of Chemical Physics , 2020, 33(1): 13-22. doi: 10.1063/1674-0068/cjcp1910191 |
[1] |
B. R. Henry, Acc. Chem. Res. 10, 207 (1977). doi: 10.1021/ar50114a003
|
[2] |
B. R. Henry, Acc. Chem. Res. 20, 429 (1987). doi: 10.1021/ar00144a001
|
[3] |
M. S. Child, Acc. Chem. Res 18, 45 (1985). doi: 10.1021/ar00110a003
|
[4] |
M. Quack, Annu. Rev. Phys. Chem. 41, 839 (1990). doi: 10.1146/annurev.pc.41.100190.004203
|
[5] |
H. G. Kjaergaard, J. D. Goddard, and B. R. Henry, J. Chem. Phys. 95, 5556 (1991). doi: 10.1063/1.461629
|
[6] |
H. G. Kjaergaard and B. R. Henry, J. Chem. Phys. 96, 4841 (1992).
|
[7] |
B. Timm and R. Mecke, Z. Phys. 98, 363 (1936).
|
[8] |
I. Schek, J. Jortner, and M. L. Sage, Chem. Phys. Lett. 64, 209 (1979). doi: 10.1016/0009-2614(79)80497-2
|
[9] |
Q. Du, R. Superfine, E. Freysz, and Y. R. Shen, Phys. Rev. Lett. 70, 2313 (1993). doi: 10.1103/PhysRevLett.70.2313
|
[10] |
Y. Wang, N. O. Hodas, Y. Jung, and R. A. Marcus, Phys. Chem. Chem. Phys. 13, 5388 (2011). doi: 10.1039/c0cp02745f
|
[11] |
A. Amrein, H. R. Dubal, M. Lewerenz, and M. Quack, Chem. Phys. Lett. 112, 387 (1984). doi: 10.1016/0009-2614(84)85554-2
|
[12] |
J. R. Fair, O. Votava, and D. J. Nesbitt, J. Chem. Phys. 108, 72 (1998). doi: 10.1063/1.475386
|
[13] |
S. H. Bauer and R. M. Badger, J. Chem. Phys. 5, 852 (1937). doi: 10.1063/1.1749953
|
[14] |
D. Hurtmans, F. Herregodts, M. Herman, J. Liévin, A. Campargue, A. Garnache, and A. A. Kachanov, J. Chem. Phys. 113, 1535 (2000). doi: 10.1063/1.481939
|
[15] |
S. Ishiuchi, M. Fujii, T. W. Robinson, B. J. Miller, and H. G. Kjaergaard, J. Phys. Chem. A 110, 7345 (2006). doi: 10.1021/jp060723q
|
[16] |
I. M. Konen, E. X. J. Li, M. I. Lester, J. Vázquez, and J. F. Stanton, J. Chem. Phys. 125, 074310 (2006). doi: 10.1063/1.2234772
|
[17] |
K. Takahashi, M. Sugawara, and S. Yabushita, J. Phys. Chem. A 107, 11092 (2003). doi: 10.1021/jp0346965
|
[18] |
K. Takahashi, M. Sugawara, and S. Yabushita, J. Phys. Chem. A 109, 4242 (2005).
|
[19] |
E. Whalley and D. D. Klug, J. Chem. Phys. 84, 78 (1986). doi: 10.1063/1.450135
|
[20] |
K. Takahashi, J. Mol. Spectrosc. 363, 111171 (2019). doi: 10.1016/j.jms.2019.07.002
|
[21] |
K. Takahashi, M. Sugawara, and S. Yabushita, J. Phys. Chem. A 106, 2676 (2002). doi: 10.1021/jp0135252
|
[22] |
E. B. Wilson Jr., J. C. Decious, and P. C. Cross, Molecular Vibrations, New York: Dover (1955).
|
[23] |
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. Montgomery, J. A., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, Ö. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian 03 (Revision B.01), Pittsburgh, PA: Gaussian Inc., (2009).
|
[24] |
J. C. Light, I. P. Hamilton, and J. V Lill, J. Chem. Phys. 82, 1400 (1985). doi: 10.1063/1.448462
|
[25] |
M. Morita and K. Takahashi, Phys. Chem. Chem. Phys. 15, 14973 (2013). doi: 10.1039/c3cp51903a
|
[26] |
M. Morita and K. Takahashi, Phys. Chem. Chem. Phys. 15, 114 (2013). doi: 10.1039/C2CP42501G
|
[27] |
P. W. Atkins and R. S. Friedman, Molecular Quantum Mechanics, Oxford: Oxford Press, (2011).
|
[28] |
A. D. Becke, J. Chem. Phys. 98, 5648 (1993). doi: 10.1063/1.464913
|
[29] |
C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). doi: 10.1103/PhysRevB.37.785
|
[30] |
T. H. Dunning, J. Chem. Phys. 90, 1007 (1989). doi: 10.1063/1.456153
|
[31] |
R. A. Kendall, T. H. Dunning, and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992). doi: 10.1063/1.462569
|
[32] |
T. H. Dunning, K. A. Peterson, and A. K. Wilson, J. Chem. Phys. 114, 9244 (2001). doi: 10.1063/1.1367373
|
[33] |
R. J. Bartlett and G. Purvis, Int. J. Quantum. Chem. XIV, 561 (1978).
|
[34] |
J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quant. Chem. 124, 11802 (1978).
|
[35] |
J. A. Pople, M. Head-Gordon, and K. Raghavachari, J. Chem. Phys. 87, 5968 (1987). doi: 10.1063/1.453520
|
[36] |
Https://cccbdb.nist.gov/ (last accessed 10/15/19).
|
[37] |
X. Huang and T. J. Lee, J. Chem. Phys. 131, 104301 (2009). doi: 10.1063/1.3212560
|
[38] |
R. F. W. Bader, Atoms in Molecules. A Quantum Theory, New York: Oxford University Press, (1990).
|
[39] |
R. L. a Haiduke and R. E. Bruns, J. Phys. Chem. A 109, 2680 (2005). doi: 10.1021/jp045357u
|
[40] |
A. F. Silva, W. E. Richter, H. G. C. Meneses, S. H. D. M. Faria, and R. E. Bruns, J. Phys. Chem. A 116, 8238 (2012). doi: 10.1021/jp304474e
|
[41] |
T. Hirano, U. Nagashima, and P. Jensen, J. Mol. Spectrosc. 343, 54 (2018). doi: 10.1016/j.jms.2017.06.012
|
[42] |
T. Hirano, U. Nagashima, P. Jensen, and H. Li, J. Mol. Spectrosc. 362, 29 (2019). doi: 10.1016/j.jms.2019.05.005
|