Spin-spin coupling constants in homonuclear polynitrogen species

Physical Chemistry Chemical Physics

Volumn 8, Issue 29, 2006, Pages 3379-3382

  Bryce, David L ^a  

^a UNIVERSITY OF OTTAWA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84962438924     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b607213e     Document Type: Article

References (47)

1. K. O. Christe W. W. Wilson J. A. Sheehy J. A. Boatz Angew. Chem., Int. Ed. 1999 38 2004
2. R. Haiges S. Schneider T. Schroer K. O. Christe Angew. Chem., Int. Ed. 2004 43 4919
3. R. J. Bartlett Chem. Ind. 2000 140
4. P. Pyykkö N. Runeberg J. Mol. Struct. (THEOCHEM) 1991 234 279
5. M. T. Nguyen J. Phys. Chem. 1990 94 6923
6. L. Gagliardi P. Pyykkö J. Am. Chem. Soc. 2001 123 9700
7. L. Gagliardi P. Pyykkö J. Phys. Chem. A 2002 106 4690
8. M. Straka P. Pyykkö Inorg. Chem. 2003 42 8241
9. S. Fau R. J. Bartlett J. Phys. Chem. A 2001 105 4096
10. M. Tobita R. J. Bartlett J. Phys. Chem. A 2001 105 4107
11. K. J. Wilson S. Ajith Perera R. J. Bartlett J. D. Watts J. Phys. Chem. A 2001 105 7693
12. G. A. Olah G. K. Surya Prakash G. Rasul J. Am. Chem. Soc. 2001 123 3308
13. S. D. Kunikeev H. S. Taylor T. Schroer R. Haiges C. J. Bigler Jones K. O. Christe Inorg. Chem. 2006 45 437
14. J. O. Friedrich R. E. Wasylishen J. Chem. Phys. 1985 83 3707
15. G. Schatte H. Willner M. Willert-Porada Magn. Reson. Chem. 1992 30 118
16. Some calculations were performed using the High Performance Computing Virtual Laboratory, see http://www.hpcvl.org
17. A. D. Becke J. Chem. Phys. 1993 98 5648
18. M. J. Frisch et al., GAUSSIAN 03 (Revision B.04), Gaussian, Inc., Wallingford, CT, 2004
19. DALTON, a molecular electronic structure program, Release 2.0 (2005), see http://www.kjemi.uio.no/software/dalton/dalton.html
20. T. Enevoldsen J. Oddershede S. P. A. Sauer Theor. Chem. Acc. 1998 100 275
21. T. H. Dunning, Jr J. Chem. Phys. 1989 90 1007
22. R. A. Kendall T. H. Dunning, Jr R. J. Harrison J. Chem. Phys. 1992 96 6769
23. A. K. Wilson T. V. Mourik T. H. Dunning, Jr J. Mol. Struct. (THEOCHEM) 1996 388 339
24. Some basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, Pacific Northwest Laboratory, Richland, WA, USA
25. S. Huzinaga, Approximate Atomic Functions, University of Alberta, Edmonton, 1971
26. S. Huzinaga J. Chem. Phys. 1965 42 1293
27. T. Helgaker M. Watson N. C. Handy J. Chem. Phys. 2000 113 9402
28. T. A. Ruden O. B. Lutnaes T. Helgaker K. Ruud J. Chem. Phys. 2003 118 9572
29. S. Ajith Perera H. Sekino R. J. Bartlett J. Chem. Phys. 1994 101 2186
30. T. Helgaker M. Jaszuński K. Ruud A. Górska Theor. Chem. Acc. 1998 99 175
31. J. Müller Z. Naturforsch. 1978 33b 993
32. K. P. Huber and G. Herzberg, "Constants of Diatomic Molecules" (data prepared by J. W. Gallagher and R. D. Johnson, III) in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, ed., P. J. Linstrom, and, W. G. Mallard,, June 2005, National Institute of Standards and Technology, Gaithersburg MD, 20899 (http://webbook.nist.gov)
33. K. O. Christe W. W. Wilson R. Bau S. W. Bunte J. Am. Chem. Soc. 1992 114 3411
34. B. Le Guennic K. Matsumoto J. Autschbach Magn. Reson. Chem. 2004 42 S99
35. J. Autschbach B. Le Guennic Chem.-Eur. J. 2004 10 2581
36. J. Autschbach B. Le Guennic J. Am. Chem. Soc. 2003 125 13585
37. J. Autschbach T. Ziegler J. Am. Chem. Soc. 2001 123 3341
38. S. Miertuš E. Scrocco J. Tomasi Chem. Phys. 1981 55 117
39. E. Cancès B. Mennucci J. Tomasi J. Chem. Phys. 1997 107 3032
40. M. Cossi V. Barone B. Mennucci J. Tomasi Chem. Phys. Lett. 1998 286 253
41. B. Mennucci J. Tomasi J. Chem. Phys. 1997 106 5151
42. A. Vij W. W. Wilson V. Vij F. S. Tham J. A. Sheehy K. O. Christe J. Am. Chem. Soc. 2001 123 6308
43. J. Mason, in Encyclopedia of Nuclear Magnetic Resonance, ed., D. M. Grant, and, R. K. Harris,, Wiley, Chichester, 1996, p. 3222
44. J. Vaara J. Jokisaari R. E. Wasylishen D. L. Bryce Prog. Nucl. Magn. Reson. Spectrosc. 2002 41 233
45. D. L. Bryce R. E. Wasylishen J. Am. Chem. Soc. 2000 122 3197
46. D. L. Bryce R. E. Wasylishen J. Am. Chem. Soc. 2000 122 11236
47. R. E. Wasylishen, in Encyclopedia of Nuclear Magnetic Resonance, ed., D. M. Grant, and, R. K. Harris,, Wiley, Chichester, 1996, p. 1685