Frequencies of the NH vibrations and macrocycle structure of sterically distorted porphyrins

Optics and Spectroscopy (English translation of Optika i Spektroskopiya)

Volumn 97, Issue 3, 2004, Pages 357-368

  Ivashin, N V ^a   Parkhots, O P ^a  

^a B I STEPANOV INSTITUTE OF PHYSICS   (Belarus)

Author keywords

[No Author keywords available]

Indexed keywords

CHLORINE COMPOUNDS; DEFORMATION; HYDROGEN BONDS; NITROGEN COMPOUNDS; OPTIMIZATION; VAN DER WAALS FORCES;

MACROCYCLE STRUCTURES; PROPHYRIN MACROCYCLES; QUANTUM-CHEMICAL POINTS;

PORPHYRINS;

CHLORINE COMPOUNDS; DEFORMATION; HYDROGEN BONDS; NITROGEN COMPOUNDS; OPTIMIZATION; ORGANIC COMPOUNDS;

EID: 9144256746     PISSN: 0030400X     EISSN: None     Source Type: Journal    
DOI: 10.1134/1.1803639     Document Type: Article

References (37)

1. J. A. Shelnutt, X.-Z. Song, J.-G. Ma, et al., Chem. Soc. Rev. 27, 31 (1998).
2. M. O. Senge, J. Photochem. Photobiol. B 16, 3 (1992).
3. D. Holten, J. Fajer, K. M. Smith, et al., J. Phys. Chem. 101, 1247 (1997).
4. N. V. Ivashin, S. N. Terekhov, A. M. Shul'ga, and V. S. Chirvonyǐ, Opt. Spektrosk. 85, 398 (1998) [Opt. Spectrosc. 85, 365 (1998)].
5. N. V. Ivashin, S. N. Terekhov, A. M. Shul'ga, and V. S. Chirvonyǐ, Opt. Spektrosk. 85, 398 (1998) [Opt. Spectrosc. 85, 365 (1998)].
6. N. V. Ivashin, O. P. Parkhots, A. S. Semeǐkin, and S. Larsson, Zh. Prikl. Spektrosk. 66, 522 (1999).
7. J. Almlof, T. H. Fischer, P. G. Gassman, et al., J. Phys. Chem. 97, 10964 (1993).
8. C. H. Reynolds, J. Org. Chem. 53, 6061 (1988).
9. A. Ghosh, Acc. Chem. Res. 31, 189 (1998).
10. D. Sundholm, Phys. Chem. Chem. Phys. 2, 2275 (2000).
11. P. M. Kozlowski, A. A. Jarzecki, and P. Pulay, J. Phys. Chem. 100, 7007 (1996).
12. N. V. Ivashin, O. P. Parkhots, and S. Larsson, Zh. Prikl. Spektrosk. 69, 572 (2002).
13. J. P. Foster and F. Weihhold, J. Am. Chem. Soc. 102, 7211 (1980).
14. A. E. Reed, L. A. Curtiss, and F. Weihhold, Chem. Rev. 88, 899 (1988).
15. I. Vorobyov, M. Cecilia, and Y. DuPre, J. Phys. Chem. A 106, 668 (2002).
16. O. E. Taurian and R. H. Contreras, J. Mol. Struct.: THEOCHEM 504, 119 (2000).
17. N. B. Wong, Y. S. Cheung, D. Y. Wu, et al., J. Phys. Chem. A 104, 6077 (2000).
18. F. Weinhold, J. Mol. Struct.: THEOCHEM 398-399, 181 (1997).
19. J. E. Peralta, M. C. R. de Azua, and R. H. Conteras, J. Mol. Struct.: THEOCHEM 491, 23 (1999).
20. N. B. Wong, Y. S. Cheung, D. Y. Wu, et al., J. Mol. Struct.: THEOCHEM 507, 153 (2000).
21. M. J. Frisch, G. W. Trucks, H. B. Schlegel, et al., Gaussian 98. Revision A.9 (Gaussian, Pittsburgh, 1998).
22. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
23. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
24. J. E. Del Bene, W. B. Person, and K. Szczepaniak, J. Phys. Chem. 99, 10705 (1995).
25. P. Flükiger, H. P. Lüthi, S. Portmann, and J. Weber, Molekel 4.2 (Swiss Center for Scientific Computing, Manno, 2000).
26. E. D. Glendening, A. E. Reed, J. E. Carpenter, and F. Weinhold, NBO. Version 3.1 (1995).
27. S. F. Mason, J. Chem. Soc., No. 6, 976 (1958).
28. G. P. Gurinovich, A. N. Sevchenko, and K. N. Solov'ev, Spectroscopy of Chlorophyll and Related Compounds (Nauka i Tekhnika, Minsk, 1968).
29. A. Schaefer, C. Huber, and R. Ahlrichs, J. Chem. Phys. 100, 5829 (1994).
30. C. J. Medforth, M. O. Senge, T. P. Forsyth, et al., Inorg. Chem. 33, 3865 (1994).
31. M. O. Senge, C. J. Medforth, T. P. Forsyth, et al., Inorg. Chem. 36, 1149 (1997).
32. M. S. Somma, C. J. Medfoth, N. Y. Nelson, et al., Chem. Commun., No. 13, 1221 (1999).
33. K. M. Barkigia, M. D. Berber, J. Fajer, et al., J. Am. Chem. Soc. 112, 8851 (1990).
34. K. M. Barkigia, M. D. Berber, J. Fajer, et al., Acta Crystallogr. C 51, 511 (1995).
35. S. J. Silvers and A. Tulinsky, J. Am. Chem. Soc. 89, 3331 (1967).
36. R. D. Kross, V. A. Fassel, and M. Margoshes, J. Am. Chem. Soc. 78, 1332 (1956).
37. J. W. Linnett and P. J. Wheatley, Nature 161 (4103), 971 (1948).