Equilibrium structure and force field of NH2

Physical Chemistry Chemical Physics

Volumn 5, Issue 16, 2003, Pages 3359-3363

  Demaison, J ^a   Margules L ^a   Boggs, James E ^b  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ELECTRON; EQUILIBRIUM CONSTANT; FORCE; GEOMETRY; SPECTROSCOPY; TECHNIQUE;

EID: 1642319662     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b304805p     Document Type: Article

References (51)

1. P. Swing, A. McKellar and R. Minkovski, Astrophys. J., 1943, 98, 101.
2. G. Herzberg and D. A. Ramsay, J. Chem. Phys., 1952, 347.
3. E. F. van Dishoeck, D. J. Jansen, P. Schilke and T. G. Philips, Astrophys. J., 1993, 416, L83.
4. H. Kawakita, K. Ayani and T. Kawabata, Pub. Astron. Soc. Japan, 2000, 52, 925.
5. H. Kawashita, J. Watanabe, S. Ando, W. Aoki, T. Fuse, S. Honda, H. Izumiura, T. Kajino, E. Kambe, S. Kawanomoto, K. Noguchi, K. Okita, K. Sakadane, B. Sato, M. Takata-Hidai, Y. Takeda, T. Usuda, E. Watanabe and M. Yoshida, Science, 2001, 294, 1089.
6. H. S. P. Müller, H. Klein, S. P. Belov, G. Winnewisser, I. Morino, K. M. T. Yamada and S. Saito. J. Mol. Spectrosc., 1999, 195, 177.
7. J. M. Brown and T. J. Sears, J. Mol. Spectrosc., 1979, 75, 111.
8. K. Kobayashi, H. Ozeki, S. Saito, M. Tonooka and S. Yamamoto, J. Chem. Phys., 1997, 107, 9289.
9. I. Morino and K. Kawaguchi, J. Mol. Spectrosc., 1997, 182, 428.
10. M. Vervloet, Mol. Phys., 1988, 63, 433.
11. A. R. W. McKellar, M. Vervloet, J. B. Burkholder and C. J. Howard, J. Mol. Spectrosc., 1990, 142, 319.
12. R. N. Dixon, S. J. Irving, J. B. Nightingale and M. Vervloet, J. Chem. Soc. Faraday Trans., 1991, 87, 2121.
13. I. Hadj Bachir, T. R. Huet, J.-L. Destombes and M. Vervloet, J. Mol. Spectrosc., 1999, 193, 326.
14. P. Jensen, R. J. Buenker, G. Hirsch and S. N. Rai, Mol. Phys., 1990, 70, 443.
15. J. M. L. Martin, J. P. François and R. Gijbels, J. Chem. Phys., 1992, 97, 3530.
16. W. Gabriel, G. Chambaud, P. Rosmus, S. Carter and N. C. Handy, Mol. Phys., 1994, 81, 1445.
17. P. Jensen, T. E. Odaka, W. P. Kraemer, T. Hirano and P. R. Bunker, Spectrochim. Acta, Part A, 2002, 58, 763.
18. S. Parthiban and J. M. L. Martin, J. Chem. Phys., 2001, 114, 6014.
19. L. A. Curtiss, K. Raghavachari, P. C. Redfern, V. Rassolov and J. A. Pople, J. Chem. Phys., 1998, 109, 7764.
20. R. Janoschek and M. J. Rossi, Int. J. Chem. Kinet., 2002, 24, 550.
21. J. F. Stanton, J. Gauss, J. D. Watts, W. J. Lauderdale and R. J. Bartlett, Int. J. Quantum Chem. Symp., 1992, 26, 879.
22. G. D. Purvis III and R. J. Bartlett, J. Chem. Phys., 1982, 76, 1910.
23. K. Raghavachari, G. W. Trucks, J. A. Pople and M. Head-Gordon, Chem. Phys. Lett., 1989, 157, 479.
24. M. Rittby and R. J. Bartlett, J. Phys. Chem., 1988, 92, 3033.
25. T. J. Lee and P. R. Taylor, Int. J. Quantum Chem. Symp., 1989, 23, 199.
26. T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrrison, J. Chem. Phys., 1992, 96, 6769; D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys., 1995, 103, 4572.
27. T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrrison, J. Chem. Phys., 1992, 96, 6769; D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys., 1995, 103, 4572.
28. T. H. Dunning, Jr., J. Chem. Phys., 1989, 90, 1007; R. A. Kendall, T. H. Dunning, Jr. and R. J. Harrrison, J. Chem. Phys., 1992, 96, 6769; D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys., 1995, 103, 4572.
29. W. Schneider and W. Thiel, Chem. Phys. Lett., 1989, 157, 367.
30. D. Papousek, M. R. Aliev, Molecular Vibrational-Rotational Spectra, Elsevier, Amsterdam, 1982.
31. J. M. Brown, S. W. Chalkley and F. D. Wayne, Mol. Phys., 1979, 38, 1521.
32. A. Fayt, J. Demaison, G. Wlodarczak and H. Bürger, Mol. Phys., 2003, 101, 675.
33. VIBROT written by G. O. Sørensen is a program for calculating spectroscopic constants of an asymmetric top molecule from quartic force fields provided in valence or symmetry coordinates. Documentation and source code in C are available via anonymous ftp through k15axp.ki.ku.dk.
34. J. K. G. Watson, in Vibrational Spectra and Structure, ed. J. R. Durig, Elsevier, Amsterdam, 1977, vol. 6, p. 1.
35. F. X. Kneizys, J. N. Freedman and S. A. Clough, J. Chem. Phys., 1966, 44, 2552.
36. D. Feller, J. Chem. Phys., 1992, 96, 6104.
37. K. A. Peterson, D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys., 1994, 100, 7410.
38. J. Demaison, H. Hübner and G. Wlodarczak, Molecular Constants Mostly from Microwave, Molecular beam, and Sub-Doppler Laser Spectroscopy, ed. W. Hüttner, Springer, Berlin, 1998, vol. 24A.
39. W. Gordy, R. L. Cook, Microwave Molecular Spectra, Wiley-Interscience, New York, 1984, ch. 11.
40. J. K. G. Watson, Mol. Phys., 1968, 15, 479.
41. K. T. Chung and P. M. Parker, J. Chem. Phys., 1963, 38, 8.
42. M. R. Aliev and J. K. G. Watson, in Molecular Spectroscopy: Modern Research, ed. K. N. Rao, Academic Press, New York, 1985, vol. III.
43. S. Parthiban and J. M. L. Martin, J. Chem. Phys., 2001, 114, 6014.
44. C. E. Moore, Atomic Energy levels, NSRDS-NBS35, Office of Standard Reference Data, National Bureau of Standards, Washington, DC, 1971.
45. J. D. Cox, D. D. Wagman, and V. A. Medvedev, CODATA Key Values for Thermodynamics, Hemisphere, New York, 1989.
46. S. T. Gibson, J. P. Greene and J. Berkowitz, J. Chem. Phys., 1985, 83, 4319.
47. W. Hack, P. Rouveirolles and H. G. Wagner, J. Phys. Chem., 1986, 90, 2505.
48. J. W. Sutherland and J. V. Michael, J. Chem. Phys., 1988, 88, 830.
49. D. H. Mordaunt, M. N. R. Ashfold and R. N. Dixon, J. Chem. Phys., 1996, 104, 6460.
50. K. Dressler and D. A. Ramsay, Philos. Trans. R. Soc. London, Ser. A, 1959, 251, 553.
51. F. W. Birss, M.-F. Merienne-Lafore, D. A. Ramsay and M. Vervloet, J. Mol. Spectrosc., 1981, 85, 493.