Correlation between the 35Cl NQR parameters of chloro-containing organic and organometallic compounds and the results of ab initio calculations

Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences

Volumn 55, Issue 5, 2000, Pages 555-559

  Feshin, Valentin P ^a   Feshina, Elena V ^a  

^a INSTITUTE OF METALLURGY   (Russian Federation)

Author keywords

35Cl NQR frequency; Ab initio calculations; Asymmetry parameter; Chloro containing organic and organometallic compounds; p orbital populations

Indexed keywords

EID: 0040199904     PISSN: 09320784     EISSN: None     Source Type: Journal    
DOI: 10.1515/zna-2000-0513     Document Type: Article

References (14)

1. T. P. Das and E. L. Hahn, Nuclear Quadrupole Resonance Spectroscopy. Academic Press Inc. New York, London 1958.
2. E. A. C. Lucken, Nuclear Quadrupole Coupling Constants, Academic Press London 1969.
3. V. P. Feshin, Electron Effects in Organic and Organometallic Molecules, Russian Academy of Sciences, Ekaterinburg 1997.
4. 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, 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, M. Head-Gordon, C. Gonzalez, and J. A. Pople, Gaussian 94, Revision E.3, Gaussian, Inc., Pittsburgh PA 1995.
5. V. P. Feshin, P. A. Nikitin, and M. G. Voronkov, Dokl. Akad. Nauk SSSR. 281, 409 (1985).
6. G. K. Semin, T. A. Babushkina, and G. G. Yakobson, Nuclear Quadrupole Resonance in Chemistry. Keter Publishing Hause Jerusalem Ltd., John Wiley & Sons, New York 1975.
7. Yu. E. Sapozhnikov, Ya. B. Yasman, T. G. Sukhanova, and V. A. Danilov. Org. Reactivity 21, 441 (1984).
8. 35Cl soedinenii fosfora, soderzhashchih svyaz' P-Cl. Part 1. Tomsk University (1991).
9. V. P. Feshin and M. Yu. Konshin, Z. Narurforsch. 51a, 549 (1995).
10. V. P. Feshin and M. Yu. Konshin, Zh. Struct. Khim. 39, 157 (1998).
11. V. P. Feshin and E. V. Feshina, Khim. geterocycl. soed. No. 1 40 (1996).
12. V. P. Feshin, Main Group Metal Chem. 20, 669 (1997).
13. V. P. Feshin and E. V. Feshina, Zh. Obshch. Khim. 69, 380 (1999).
14. V. P. Feshin, M. Yu. Konshin, and E. V. Feshina, Zh. Obshch. Khim. 68, 1656 (1998).