No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
The Ar–HF intermolecular potential: Overtone spectroscopy and ab initio calculations
1.S. J. Harris, S. E. Novick, and W. Klemperer, J. Chem. Phys. 60, 3208 (1974);
1.T. A. Dixon, C. H. Joyner, F. A. Baiocchi, and W. Klemperer, J. Chem. Phys. 74, 6539 (1981)., J. Chem. Phys.
2.M. R. Keenan, L. W. Buxton, E. J. Campbell, A. C. Legon, and W. H. Flygare, J. Chem. Phys. 74, 2133 (1981).
3.P. A. Stockman and G. A. Blake, J. Chem. Phys. 98, 4307 (1993).
4.M. A. Dvorak, S. W. Reeve, W. A. Burns, A. Grushow, and K. R. Leopold, Chem. Phys. Lett. 185, 399 (1991).
5.G. T. Fraser and A. S. Pine, J. Chem. Phys. 85, 2502 (1986).
6.C. M. Lovejoy, M. D. Schuder, and D. J. Nesbitt, Chem. Phys. Lett. 127, 374 (1986);
6.C. M. Lovejoy, M. D. Schuder, and D. J. Nesbitt, J. Chem. Phys. 85, 4890 (1986).
7.Z. S. Huang, K. W. Jucks, and R. E. Miller, J. Chem. Phys. 85, 6905 (1986).
8.C. M. Lovejoy and D. J. Nesbitt, J. Chem. Phys. 91, 2790 (1989).
9.A. McIlroy and D. J. Nesbitt, Chem. Phys. Lett. 187, 215 (1991);
9.J. T. Farrell, Jr., O. Sneh, A. McIlroy, A. E. W. Knight, and D. J. Nesbitt, J. Chem. Phys. 97, 7967 (1992).
10.C. M. Lovejoy, J. M. Hutson, and D. J. Nesbitt, J. Chem. Phys. 97, 8009 (1992).
11.H.-C. Chang and W. Klemperer, J. Chem. Phys. 98, 2497 (1993). There are typing errors in Table I of this paper. The term energies of the state at and 19 should be 11 456.505(1) and respectively, rather than 11 460.261(1) and
12.J. A. Barnes, M. Keil, R. E. Kutina, and J. C. Polanyi, J. Chem. Phys. 76, 913 (1982).
13.P. F. Vohralik, R. E. Miller, and R. O. Watts, J. Chem. Phys. 90, 2182 (1989).
14.L. J. Rawluk, Y. B. Fan, Y. Apelblat, and M. Keil, J. Chem. Phys. 94, 4205 (1991);
14.L. J. Rawluk, M. Keil, M. H. Alexander, H. R. Mayne, and J. J. C. Barrett, Chem. Phys. Lett. 202, 291 (1993).
15.J. M. Hutson and B. J. Howard, Mol. Phys. 45, 791 (1982).
16.D. J. Nesbitt, M. S. Child, and D. C. Clary, J. Chem. Phys. 90, 4855 (1989).
17.We designate the states by the label where υ denotes the HF valence stretching quantum number, b is the bending quantum number (which correlates with the diatom rotational quantum number j in the free-rotor limit), K is the projection of rotational angular momentum on the molecular axis, and n is the van der Waals stretching quantum number.
18.J. M. Hutson, J. Chem. Phys. 96, 6752 (1992).
19.D. J. Nesbitt, C. M. Lovejoy, T. G. Lindeman, S. V. O’Neil, and D. C. Clary, J. Chem. Phys. 91, 722 (1989).
20.C. M. Lovejoy and D. J. Nesbitt, J. Chem. Phys. 93, 5378 (1990).
21.G. Chalasinski, M. M. Szczesniak, and S. Scheiner, J. Chem. Phys. 94, 2807 (1991).
22.G. Chalasinski, S. M. Cybulski, M. M. Szczesniak, and S. Scheiner, J. Chem. Phys. 91, 7809 (1989).
23.F.-M. Tao, J. Chem. Phys. 98, 2481 (1993);
23.F.-M. Tao, 98, 3049 (1993)., J. Chem. Phys.
24.J. M. Hutson, BOUND computer code, version 3, 1986, distributed by Collaborative Computational Project no. 6 of the Science and Engineering Research Council, United Kingdom.
25.J. M. Hutson, Adv. Mol. Vibrations Collision Dynam. A 1, 1 (1991).
26.E. S. Fishburne and K. N. Rao, J. Mol. Spectrosc. 19, 290 (1966).
27.D. E. Manolopoulos, J. Chem. Phys. 85, 6425 (1986).
28.B. R. Johnson, J. Comp. Phys. 13, 445 (1973).
29.C. J. Ashton, M. S. Child, and J. M. Hutson, J. Chem. Phys. 78, 4025 (1983).
30.H.-C. Chang and W. Klemperer, J. Chem. Phys. 98, 9266 (1993).
31.The anomalous intensity of the (1001)←(0000) band has been discussed by Lovejoy and Nesbitt (Ref. 8) who found their experimental value to be nine times larger than that calculated from Franck-Condon overlap based on two dimensional (R and θ) potentials at and 1.
32.S. Drucker, A. L. Cooksy, and W. Klemperer, J. Chem. Phys. 98, 5158 (1993);
32.A. L. Cooksy, M. J. Elrod, R. J. Saykally, and W. Klemperer, J. Chem. Phys. 99, 3200 (1993)., J. Chem. Phys.
33.J. M. Hutson and R. J. Le Roy, J. Chem. Phys. 78, 4040 (1983).
34.A cursory attempt was made to observe the (3200) Σ bend at the region of hoping to see a broad rotationally unresolved parallel band. The attempt was unsuccessful.
35.There is a temptation to assign the broad feature (labeled by a solid circle) near to Q(17), but the transition is lower than that expected. It is interesting to note that similar unidentified features have also been recorded in the (1210)←(0000) spectrum.
36.S. Huzinaga and M. Klobukowski, J. Mol. Struct. 167, 1 (1988);
36.T. W. Dingle, S. Huzinaga, and M. Klobukowski, J. Comput. Chem. 10, 753 (1989).
37.S. Huzinaga, J. Chem. Phys. 42, 1293 (1965).
38.F.-M. Tao and Y. K. Pan, Chem. Phys. Lett. 194, 162 (1992);
38.F.-M. Tao and Y. K. Pan, J. Chem. Phys. 97, 4989 (1992);
38.Mol. Phys. (in press).
39.B. Liu and A. D. McLean, J. Chem. Phys. 91, 2348 (1989);
39.R. J. Vos, J. H. van Lenthe, and F. B. van Duijneveldt, J. Chem. Phys. 93, 643 (1990)., J. Chem. Phys.
40.J. G. C. M. van Duijneveldt-van de Rijdt and F. B. van Duijneveldt, J. Chem. Phys. 97, 5019 (1992);
40.K. S. Kim, U. S. Choi, and K. Lee, J. Chem. Phys. 97, 6649 (1992)., J. Chem. Phys.
41.We note that the rotational and centrifugal distortion constants of the levels (3100) and (3110) differ considerably from those reported in Ref. 11, where deperturbation of the state (3002) was not performed. The constants of the present analysis do not match the linear extrapolations of the related constants from lower vibrational states. Particularly for the levels (υ100), the rotational constant B(3100) is smaller than the constants obtained at Part of the mismatches might be associated with the way the term energies are fitted. At the strong perturbations among (υ100), (υ002), and (υ110) require the use of two centrifugal distortion constants and in the fit in order to reduce residuals to within experimental uncertainties. However, at fitting of a single D(3110) is sufficient to complete the deperturbation.
Article metrics loading...
Full text loading...
Most read this month
Most cited this month