Molecular Reorientations οf N-n-Hexyltetrachlorophthalimide Studied by ^1H NMR

• Authors: K. Hołderna-Natkaniec , K. Jurga , A. Woźniak-Braszak , A. Walczak
• Languages of publication: EN

Abstracts

EN

The spin-lattice relaxation times T_{1} and the second moment of ^{1}H NMR line have been employed to study the internal dynamics of protons of N-n-hexyl-tetra-chloro-phthali-mides in the temperature range 80-350 K. The model of internal reorientations has been proposed.

Keywords

EN

07.05.Tp; 31.15.E-; 33.20.Ea; 64.70.K-; 76.60.-k

Discipline

• 76.60.-k: Nuclear magnetic resonance and relaxation(see also 33.25.+k Nuclear resonance and relaxation in atomic and molecular physics and 82.56.-b Nuclear magnetic resonance in physical chemistry and chemical physics; for structure determination using magnetic resonance techniques, see 61.05.Qr; for biophysical applications, see 87.80.Lg; for NMR in superconducting materials, see 74.25.nj)
• 64.70.K-: Solid-solid transitions(see also 61.50.Ks Crystallographic aspects of phase transformations; pressure effects; 75.30.Kz and 77.80.B- for magnetic and ferroelectric transitions, respectively; for materials science aspects, see 81.30.-t)
• 31.15.E-: Density-functional theory
• 33.20.Ea: Infrared spectra
• 07.05.Tp: Computer modeling and simulation

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2010
• Volume: 117
• Issue: 4
• Pages: 537-548

Dates

published

2010-04

Contributors

author

K. Hołderna-Natkaniec

• Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland

author

K. Jurga

• Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland

author

A. Woźniak-Braszak

• Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland

author

A. Walczak

• Department of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland

References

• 1. B. Brycki, I. Kowalczyk, A. Zielinski, T. Borowiak, I. Wolska, J. Mol. Struct. 874, 145 (2008)
• 2. T. Borowiak, I. Wolska, B. Brycki, A. Zieliński, I. Kowalczyk, J. Mol. Struct. 833, 197 (2007)
• 3. S. Sou, S. Mayumi, H. Takahashi, R. Yamasaki, S. Kadoya, M. Sodeoka, Y. Hashimoto, Bioorg. Med. Chem. Lett. 10, 1081 (2000)
• 4. H. Takahashi, S. Sou, R. Yamasaki, M. Sodeoka, Y. Hashimoto, Chem. Pharm. Bull. 48, 1494 (2000)
• 5. A.I. Kitajgorodsky, Molecular Crystal and Molecules, Academic Press, New York 1973
• 6. J.J.P. Stewart, J. Mol. Model. 10, 155 (2004); J.J.P. Stewart, J. Comp. Chem. 12, 320 (1991); J.J.P. Stewart, J. Comp. Chem. 10, 209 (1989); J.J.P. Stewart, J. Comp. Chem. 10, 221 (1989)
• 7. A.D. Becke, J. Chem. Phys. 97, 9173 (1992); A.D. Becke, J. Chem. Phys. 98, 5648 (1993); C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988)
• 8. Gaussian 03, Revision D.01, M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, J.A. Montgomery, Jr., T. Vreven, K.N. Kudin, J.C. Burant, J.M. Millam, S.S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G.A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J.E. Knox, H.P. Hratchian, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, P.Y. Ayala, K. Morokuma, G.A. Voth, P. Salvador, J.J. Dannenberg, V.G. Zakrzewski, S. Dapprich, A.D. Daniels, M.C. Strain, O. Farkas, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J.V. Ortiz, Q. Cui, A.G. Baboul, S. Clifford, J. Cioslowski, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, C. Gonzalez, J.A. Pople, Gaussian Inc., Wallingford CT, 2004
• 9. K. Jurga, J. Phys. E, Sci. Instrum. 14, 555 (1981)
• 10. K. Hołderna-Matuszkiewicz, W. Wanarski, J. Kli-mowski, Acta Phys. Pol. A 59, 477 (1981)
• 11. N. Bloembergen, E.M. Purcell, R.V. Pound, Phys. Rev. 73, 679 (1948)
• 12. J.H. Van Vleck, Phys. Rev. 74, 1168 (1948)
• 13. G.W. Smith, J. Chem. Phys. 42, 4229 (1965)
• 14. G.W. Slichter, Principles of Magnetic Resonance, Springer-Verlag, Heidelberg 1978
• 15. E.R. Andrew, L. Latanowicz, J. Magn. Reson. 68, 232 (1986); E.C. Reynhardt, Chem. Phys. Lett. 256, 548 (1996)
• 16. L. Latanowicz, E.C. Reynhardt, J. Magn. Reson. Series A 121, 23 (1996)
• 17. H.S. Gutowsky, G.E. Pake, J. Chem. Phys. 18, 162 (1950)

Identifiers

DOI

10.12693/APhysPolA.117.537