EPR, ENDOR and TRIPLE resonance of amino-substituted 9,10-anthraquinone radicals and the rotation of the amino groups in the solution phase

Magnetic Resonance in Chemistry

Volumn 34, Issue 11, 1996, Pages 903-907

  Eloranta, Jussi ^a   Vatanen, Virpi ^a   Grönroos, Antti ^a   Vuolle, Mikko ^a   Mäkelä, Reijo ^a   Heikkilä, Hilkka ^a  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

Aminoanthraquinones; ENDOR; EPR; Rotation barrier; TRIPLE

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY;

AMINO GROUP; AMINOANTHRAQUINONE; ANION RADICALS; DENSITY-FUNCTIONAL METHODS; ENDOR; RESONANCE SPECTRUM; ROTATION BARRIERS; ROTATIONAL MOVEMENT; SOLUTION PHASE; TRIPLE;

ROTATION;

EID: 0030516354     PISSN: 07491581     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1097-458X(199611)34:11<903::AID-OMR986>3.0.CO;2-8     Document Type: Article

References (14)

1. S. R. Flom and P. F. Barbara, J. Phys. Chem. 89, 4489 (1987).
2. A. Ashnagar, J. M. Bruce, P. L. Dutton and R. C. Prince, Biochimi. Biophys. Acta 801, 351 (1984).
3. A. Finch, P. N. Gates, K. Radcliffe, F. N. Dickson and F. F. Bentley, Chemical Applications of Far Infrared Spectroscopy. Academic Press, New York (1970).
4. M. Vuolle and R. Mäkelä, J. Chem. Soc., Faraday Trans. 1 83, 51 (1987).
5. B. Kirste, J. Magn. Reson. 73, 213 (1987).
6. B. Kirste, Anonymous ftp server at ftp.chemie.fu-berlin.de.
7. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
8. S. H. Vosko, L. Wilk and M. Nusair, Can. J. Phys. 58, 1200 (1980).
9. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
10. M. J. S. Dewar, E. G. Zoebisch and E. F. Healy, J. Am. Chem. Soc. 107, 3902 (1985).
11. M. J. S. Dewar and W. Thiel, J. Am. Chem. Soc. 99, 4899 (1977).
12. M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Anders, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople, Gaussian 94, Revision B.3. Gaussian, Pittsburgh, PA (1995).
13. SYBYL 6.1. TRIPOS, St Louis, MO.
14. R. Mäkelä and M. Vuolle, J. Chem. Soc., Faraday Trans. 1 86, 2569 (1990).