Solid State Effects in 4,6-Dichloropyrimidine Studied by 35CI-NQR Spectroscopy and ab initio Calculations

Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

Volumn 55, Issue 1-2, 2000, Pages 343-347

  Latosinska, J N ^a   Kasprzak, J ^a  

^a ADAM MICKIEWICZ UNIVERSITY   (Poland)

Author keywords

4,6 Dichloropyrimidine; 35C1 NQR; B3LYP 6 31G*; Electronic Structure

Indexed keywords

EID: 0039550289     PISSN: 09320784     EISSN: None     Source Type: Journal    
DOI: 10.1515/zna-2000-1-261     Document Type: Article

References (8)

1. P. J. Bray, S. Moskowitz, H. O. Hooper, R. G. Barnes, and S. L. Segel, J. Chem. Phys. 28, 28 (1958).
2. H. O. Hooper and P. J. Bray, J. Chem. Phys. 30, 30 (1959).
3. V. S. S. Sastry and J. Ramakrishna, Pramana 13, 13 (1979).
4. C. A. Morrison, B. A. Smart, S. Parsons, E. M. Brown, D. W. H. Rankin, H. E. Robertson, and J. Miller, J. Chem. Soc. Perkin Trans. 2, 2 (1997).
5. Gaussian 94, Revision C.3: M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. 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. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, Head-Gordon, C. Gonzales, and J. A. Pople, Gaussian Inc., Pittsburg PA, 1995.
6. A. D. Becke, J. Chem. Phys. 98, 98 (1993).
7. J. N. Latosinska and R. Utrecht, Applied Magnetic Resonance 16, 16 (1999).
8. E. Allenstein and P. Kiemle, Spectrochim. Acta 34A, 423 (1978).