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Number of results
2008 | 113 | 4 | 1117-1130

Article title

IINS, FT-IR and DFT Study of the Internal Dynamics of [4-apyH][SbCl_4]

Content

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EN

Abstracts

EN
A combination of infrared and inelastic incoherent neutron scattering spectroscopies with the density functional theory and semi-empirical calculations was applied to propose an assignment of the vibrational spectra of 4-aminopyridine chloroantimonate(IV).

Keywords

Contributors

  • Institute of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland
  • Frank Laboratory of Neutron Physics, JINR, 141980 Dubna, Russia
author
  • Frank Laboratory of Neutron Physics, JINR, 141980 Dubna, Russia
  • H. Niewodniczański Institute of Nuclear Physics, PAS, Radzikowskiego 152, 31-342 Kraków, Poland
author
  • Department of Chemical Physics, Jagiellonian University, Ingardena 3, 30-060 Kraków, Poland
author
  • Institute of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland
  • Institute of Surface Chemistry, Ukrainian Academy of Science, Kiev, Ukraine
author
  • Faculty of Chemistry, University of Wrocław, Joliot-Curie 14, 50-383 Wrocław, Poland

References

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  • 2. CCDC No. 185826-185828. Copies of this information may be obtained free of charge from the Director, CCDC, 12 UNION Road, Cambridge CB2 1EZ, UK (e-mail: deposit@ccdc.cam.ac.uk or http:////www.ccdc.cam.ac.uk)
  • 3. F.H. Allen, Acta Crystallogr. B 58, 380 (2002)
  • 4. I.J. Bruno, J.C. Cole, P.R. Edgington, M. Kessler, C.F. Macrae, P. McCabe, J. Pearson, R. Taylor, Acta Crystallogr. B 58, 389 (2002)
  • 5. C.F. Macrae, P.R. Edgington, P. McCabe, E. Pidcock, G.P. Shields, R. Taylor, M. Towler, J. van de Streek, J. Appl. Crystallogr. 39, 453 (2006)
  • 6. I.J. Bruno, J. Cole, J.P.M. Lommerse, R.S. Rowland, R. Taylor, M. Verdonk, J. Comput. Aid. Mol. Des. 11, 525 (1997)
  • 7. I.J. Bruno, J.C. Cole, M. Kessler, J. Luo, W.D.S. Motherwell, L.H. Purkis, B.R. Smith, R. Taylor, R.I. Cooper, S.E. Harris, A.G. Orpen, J. Chem. Inf. Comp. Sci. 44, 2133 (2004)
  • 8. M.L. Verdonk, J.C. Cole, R. Taylor, J. Mol. Biol. 289, 1093 (1999)
  • 9. Neutron Data Booklet, Eds. A.J. Dianoux, G. Lander, ILL Neutrons for Sciences, Grenoble 2003
  • 10. A.D. Becke, J. Chem. Phys. 97, 9173 (1992);J. Chem. Phys. 98, 5648 (1993);C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37, 785 (1988)
  • 11. I.J.P. Stewart, J. Mol. Model. 10, 155 (2004);J. Comp. Chem. 12, 320 (1991), ibid. 10, 209 (1989);10, 221 (1989);V.D. Khavryutchenko, COSPECO Complex Program for Vibrational Spectroscopy, Institute of Surface Chemistry, Ukrainian Academy of Sciences, Kiev 1990
  • 12. I. Natkaniec, S.I. Bragin, J. Brankowski, J. Mayer, in Proc. ICANS XII Meeting, Abington 1993, Vol. I, 1994, RAL Report, 94-025, I, p. 89
  • 13. M.J. Frish, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery, R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomeli, C. Adamo, S. Clifford, J. Ochterski, G.A. Patersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-laham, C.Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P.M.W. Gill, B.G. Johnson, W. Chen, M.W. Wong, J.L. Andres, M. Head-Gordon, E.S. Replogle, J.A. Pople, GAUSSIAN 03, Gaussian, Inc., Pittsburgh PA, 2003
  • 14. W.J. Kazimirov, I. Natkaniec, Preprint P14-2003-48 JINR, Dubna 2003
  • 15. K. Holderna-Natkaniec, I. Natkaniec, J. Swiergiel, unpublished results;J. Swiergiel, Ph.D. Thesis, IF UAM, Poznań2007

Document Type

Publication order reference

Identifiers

YADDA identifier

bwmeta1.element.bwnjournal-article-appv113n402kz
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