Journal of Chemical Physics
Feedback | Help | Exit
The Journal of Chemical Physics
Search:
   
 
 
 
Previous Article
Gallium oxide and dioxide: Investigation of the ground and low-lying electronic states via anion photoelectron spectroscopy
The GaO and GaO2 molecules were investigated using negative ion photoelectron spectroscopy. All the photoelectron spectra showed vibrationally resolved progressions. With the aid of electronic structu...
Next Article
Inelastic state-to-state scattering of OH (2Pi3/2,J = 3/2,f) by HCl
Parity resolved state-to-state cross sections for inelastic scattering of OH (X  2) by HCl were measured in a crossed molecular beam experiment at the collision energy of 920  cm&#...

Nonlinear response of the benzene molecule to strong magnetic fields

J. Chem. Phys. 122, 074318 (2005); doi:10.1063/1.1850099

Published 9 February 2005

You are not logged in to this journal. Log in

G. I. Pagola, M. C. Caputo, and M. B. Ferraro
Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Pabellon I, (1428) Buenos Aires, Argentina

P. Lazzeretti
Dipartimento di Chimica dell'Università degli Studi di Modena e Reggio Emilia, Via Campi 183, 41100 Modena, Italy
The fourth-rank hypermagnetizability tensor of the benzene molecule has been evaluated at the coupled Hartree–Fock level of accuracy within the conventional common-origin approach, adopting gaugeless basis sets of increasing size and flexibility. The degree of convergence of theoretical tensor components has been estimated allowing for two different coordinate systems. It is shown that a strong magnetic field perpendicular to the plane of the molecule causes a distortion of the electron charge density, which tends to concentrate in the region of the C–C bonds. This charge contraction has a dynamical origin, and can be interpreted as a feedback effect in terms of the classical Lorentz force acting on the electron current density. ©2005 American Institute of Physics
History: Received 21 October 2004; accepted 29 November 2004; published 9 February 2005
Permalink: http://link.aip.org/link/?JCPSA6/122/074318/1
BUY THIS ARTICLE   (US$24)
Download HTML Download Sectioned HTML Download PDF (194 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 31.15.Ne
    Self-consistent-field methods (atoms and molecules)
  • 33.15.Fm
    Molecular bond strengths, dissociation energies
  • YEAR: 2005

RELATED DATABASES


To view database links for this article,
you need to log in.
To view database links for this article,
you need to log in.

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (31)
View in Separate Window/Tab
For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. N. F. Ramsey, Phys. Rev. 78, 699 (1950).
  2. N. F. Ramsey, Phys. Rev. 86, 243 (1952).
  3. N. F. Ramsey, Phys. Rev. A 1, 1320 (1970).
  4. W. T. Raynes and S. J. Stevens, Magn. Reson. Chem. 30, 124 (1992).
  5. M. T. Zaucer and A. Azman, Phys. Rev. A 16, 475 (1977).
  6. S. M. Cybulski and D. M. Bishop, J. Chem. Phys. 101, 424 (1994).
  7. C. Rizzo, A. Rizzo, and D. M. Bishop, Int. Rev. Phys. Chem. 16, 81 (1997).
  8. A. D. Buckingham, Can. J. Chem. 38, 300 (1960).
  9. J. Vaara, P. Manninen, and J. Lounila, Chem. Phys. Lett. 372, 750 (2003).
  10. G. I. Pagola, M. C. Caputo, M. B. Ferraro, and P. Lazzeretti, J. Chem. Phys. 120, 9556 (2004).
  11. G. I. Pagola, M. C. Caputo, M. B. Ferraro, and P. Lazzeretti, Chem. Phys. Lett. 400, 133 (2004).
  12. F. London, J. Phys. Radium 8, 397 (1937), 7ème Série.
  13. P. Lazzeretti, in Electric and Magnetic Properties of Molecules, Handbook of Molecular Physics and Quantum Chemistry Vol. 3, edited by S. Wilson (Wiley, Chichester, 2003), Part 1, Chap. 3, pp. 53–145.
  14. S.T. Epstein, The Variation Method in Quantum Chemistry (Academic, New York, 1974).
  15. P. Lazzeretti, in Ring Currents, Progress in Nuclear Magnetic Resonance Spectroscopy Vol. 36, edited by J. W. Emsley, J. Feeney, and L. H. Sutcliffe (Elsevier, Amsterdam, 2000), pp. 1–88.
  16. P. von Ragué Schleyer, Chem. Rev. (Washington, D.C.) 101, 1115 (2001), and articles therein.
  17. J. A. N. F. Gomes and R. B. Mallion, Chem. Rev. (Washington, D.C.) 101, 1349 (2001).
  18. P. Lazzeretti, Phys. Chem. Chem. Phys. 6, 217 (2004).
  19. P. Lazzeretti and R. Zanasi, J. Chem. Phys. 77, 3129 (1982).
  20. R. F. W. Bader and T. A. Keith, J. Chem. Phys. 99, 3683 (1993).
  21. J. A. N. F. Gomes, J. Chem. Phys. 78, 4585 (1983).
  22. J. A. N. F. Gomes, Phys. Rev. A 28, 559 (1983).
  23. M. B. Ferraro, P. Lazzeretti, R. G. Viglione, and R. Zanasi, Chem. Phys. Lett. 390, 268 (2004).
  24. H. Jao, P. von Ragué Schleyer, and M. Glukhovtsev, J. Phys. Chem. 100, 12299 (1996).
  25. B. S. Jursic, Int. J. Quantum Chem. 73, 451 (1999).
  26. M.J. Frisch G.W. Tracks, H.B. Schlegel et al., GAUSSIAN 98, Revision A.7, Gaussian, Inc., Pittsburgh, PA, 1998.
  27. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
  28. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993).
  29. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 100, 2975 (1994).
  30. P. Lazzeretti, M. Malagoli, and R. Zanasi, J. Chem. Phys. 102, 9619 (1995).
  31. P. J. Mohr and B. N. Taylor, Rev. Mod. Phys. 72, 351 (2000), Table XXVIII.

CITING ARTICLES
For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.


Copyright © American Institute of Physics