Trends in inversion barriers IV. The group 15 analogous of pyrrole

Journal of Physical Chemistry A

Volumn 106, Issue 26, 2002, Pages 6387-6394

  Pelzer, Silke ^a   Wichmann, Karin ^a   Wesendrup, Ralf ^a   Schwerdtfeger, Peter ^a  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

Author keywords

[No Author keywords available]

Indexed keywords

ARSOLE; BISMOLE; FLUORINATION; PENTAFLUOROPYRROLE; PHOSPHOLE; PYRROLE; SECOND-ORDER JAHN-TELLER DISTRORTION; STIBOLE; TETRAFLUOROPYRROLE;

CHEMICAL BONDS; INFRARED SPECTROSCOPY; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

ORGANIC COMPOUNDS;

EID: 0037019459     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0203494     Document Type: Article

References (54)

1. Dennison, D. M.; Hardy, J. D. Phys. Rev. 1932, 39, 938.
2. Dommen, J.; Caminati, W.; Hollenstein, H.; Ha, T.-K.; Meyer, R.; Bauder, A. J. Mol. Spectrosc. 1996. 180. 369.
3. Schwerdtfeger, P.; Laakronen, L.; Pyykkö, P. J. Phys. Chem. 1992, 96, 6807.
4. (a) Marynick, D. S.; Dixon, D. A. J. Phys. Chem. 1982. 86, 914.
5. (b) Dixon, D. A.; Arduengo, A. J., III. J. Am. Chem. Soc. 1987, 109, 338.
6. (c) Balasubramanian, K.; Chung, Y. S.; Glaunsinger, W. S. J. Chem. Phys. 1993, 98, 8859,
7. (d) Creve, S.; Nyugen, M. T. J. Phys. Chem. A 1998, 102, 6549.
8. Schwerdtfeger, P.; Hunt, P. Adv. Mol. Struct. Res. 1999, 5, 223.
9. For reviews on phospholes, (a) Mathey, F. Chem. Rev. 1988, 88, 429.
10. (b) Mathey, F. J. Organomet. Chem. 1990, 400, 149.
11. (c) Quin, L. D. Compr. Heterocycl. Chem. II 1996, 2, 757.
12. Rauk, A.; Allen, L. C.; Mislow, K. Angew. Chem., Int. Ed. Engl. 1970, 9, 400.
13. Elschenbroich, C.; Salzer, A. Organometallics, a Concise Introduction; VCH: Weinheim, 1992.
14. Nyulaszi, L. J. Phys. Chem. 1995, 99, 586.
15. Delaere, D.; Dransfeld, A.; Nguyen, M. T.; Vanquikenborne, L. G. J. Org. Chem. 2000, 65, 2631.
16. (a) Nyulaszi, L. Inorg. Chem. 1996, 35, 4690.
17. (b) Glukhovtsev, M. N.; Dransfeld, A.; Schleyer, P. v. R. J. Phys. Chem. 1996, 100, 13447.
18. (c) Dransfeld, A.; Nyulaszi, L.; Schleyer, P. v. R. Inorg. Chem. 1998, 37, 4413.
19. (a) Dixon, D. A.; Arduengo, A. J.; Fukunaga, T. J. Am. Chem. Soc. 1986, 108, 2461.
20. (b) Arduengo, A. J.; Dixon, D. A.; Roe, D. C. J. Am. Chem. Soc. 1986, 108, 6821.
21. (a) Baldridge, K. K.; Gordon, M. S. J. Am. Chem. Soc. 1988, 110, 4204.
22. (b) Chestnut, D. B.; Quin, L. D. J. Am. Chem. Soc. 1994, 116, 9638.
23. (c) Chestnut, D. B. J. Comput. Chem. 1995, 16, 1227.
24. (d) Schleyer, P. v. R.; Freeman, P. K.; Jiao, H.; Goldfuss, B. Angew. Chem., Int. Ed. Engl. 1995, 34, 337.
25. (e) Schleyer, P. v. R.; Maerker, C.; Dransfeld, A.; Jiao, H.; van Eikema Hoomes, N. J. R. J. Am. Chem. Soc. 1996, 118, 6317.
26. (f) Chestnut, D. B. Bartolotti, L. J. Chem. Phys. 2000, 257, 175.
27. (a) Bachrach, S. M. J. Org. Chem. 1993, 58, 5414.
28. (b) Hinchliffe, A.; Soscun, M. H. J. Theochem. (J. Mol. Struct.) 1995, 331, 109.
29. (c) Salzner, U.; Bachrach, S. M.; Mulhearn, D. C. J. Comput. Chem. 1997, 18, 198.
30. (d) Salzner, U.; Bachrach, S. M. J. Organomet. Chem. 1997, 15, 529.
31. Caster, K. C. Compr. Heterocycl. Chem. II 1996, 2, 857.
32. (a) Wilson, A.; van Mourik, T.; Dunning, T. H., Jr. J. Mol. Struct. (THEOCHEM) 1996, 388, 339.
33. (b) Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1993, 98, 1358.
34. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratman, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D. Raghavachari, K.; Foresman, J. B.; Cioslowski, J. Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S. Pople, J. A. Gaussian 98, Revision A.1; Gaussian, Inc.: Pittsburgh, PA, 1998.
35. Becke, A. D. J. Chem. Phys. 1993, 98, 5648.
36. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1988, 37, 785.
37. Stoll, H.; Dolg, M.; Preuss, H. Pseudopotential Parameters and Basis Sets, Internal Report; Universität Stuttgart: Stuttgart, 1997.
38. Halkier, A.; Taylor, P. R. Chem. Phys. Lett. 1998, 285, 133.
39. Császár, A. G.; Allen, W. D.; Schaefer, H. F. III. J. Chem. Phys. 1998, 108, 9751.
40. Swalen, J. D.; Ibers, J. A. J. Chem. Phys. 1962, 36, 1914.
41. Klopper, W.; Samson, C. C. M.; Tarczay, G.; Császár, A. G. J. Comput. Chem. 2001, 22, 1306.
42. Handy, N. C.; Carter, S.; Colwell, S. M. Mol. Phys. 1999, 96, 477.
43. Spirko, V.; Kraemer, W. P. J. Mol. Spectrosc. 1989. 133, 331, and references therein.
44. Maessen, B.; Bopp, P.; McLaughlin, D. R.; Wolfsberg, M. Z. Naturforsch. A 1984, 39, 1005.
45. Nakamoto, K. Infrared and Raman Spectra of Inorganic and Coordination Compounds, Part A: Theory and Applications in Inorganic Chemistry; Wiley: New York, 1997.
46. Nygaard, L.; Nielsen, J. T.; Kirchheiner, J.; Maltesen, G.; Rastrup-Andersen, J.; Sorensen, G. O. J. Mol. Struct. 1969, 3, 491.
47. Takeuchi, H.; Kojima, T.; Egawa, T.; Konaka, S. J. Phys. Chem. 1992, 96, 4389.
48. (a) Guillemin, J.-C.; Lassalle, L. Organometallics 1994, 13, 1525.
49. (b) Lassalle, L.; Legoupy, S.; Guillemin, J.-C. Organometallics 1996, 15, 3466.
50. Using the crystal structure of 1-benzylphosphole for comparison, Coggon, P.; Engel, J. F.; McPhail, A. T.; Quin, L. D. J. Am. Chem. Soc. 1970, 92, 5779.
51. Schwerdtfeger, P.; Boyd, P. D. W.; Fischer, T.; Hunt, P.; Liddell, M. J. Am. Chem. Soc. 1994, 116, 9620.
52. Julg, A.; Francois, P. Theor. Chim. Acta 1967, 8, 249.
53. Freed, K. F. Chem. Phys. Lett. 1968, 2, 255.
54. Hunt, P. A.; Schwerdtfeger, P. J. Org. Chem. 1997, 62, 8063.