Journal of Chemical Physics
Feedback | Help | Exit
The Journal of Chemical Physics
   
 
 
 
Previous Article
A remarkable shape-catalytic effect of confinement on the rotational isomerization of small hydrocarbons
As part of an effort to understand the effect of confinement by porous carbons on chemical reactions, we have carried out density functional theory calculations on the rotational isomerization of thre...
Next Article
The sticking probability for H2 on some transition metals at a hydrogen pressure of 1  bar
The sticking probability for hydrogen on films of Co, Ni, Cu, Ru, Rh, Pd, Ir, and Pt supported on graphite has been measured at a hydrogen pressure of 1  bar in the temperature range 40&ndas...

Groundstate dispersion interaction between pi-conjugated polymers

J. Chem. Phys. 128, 034705 (2008); doi:10.1063/1.2822127

Published 15 January 2008 | See: Erratum

You are not logged in to this journal. Log in

William Barford and Xibai Xu
Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom
The line-dipole approximation is used to investigate the scaling of the groundstate dispersion interaction, EW, between parallel conjugated polymers of length L and transverse separation D. Both a second-order perturbation theory calculation using the Mott-Wannier exciton model of excited states and a semiclassical analysis of distributed dipoles indicate that at L~D there is a crossover from the point-dipole approximation result of EW~L2/D6 for L<<D to the thermodynamically expected result of EW~L/D5 for L>>D. ©2008 American Institute of Physics
History: Received 23 October 2007; accepted 13 November 2007; published 15 January 2008
Permalink: http://link.aip.org/link/?JCPSA6/128/034705/1
BUY THIS ARTICLE   (US$28)
Download HTML Download Sectioned HTML Download PDF (367 kB) View Cart

ERRATUM

  1. Erratum: “Groundstate dispersion interaction between pi-conjugated polymers” [J. Chem. Phys. 128, 034705 (2008)]
    William Barford et al.
    J. Chem. Phys. 129, 079901 (2008)

KEYWORDS and PACS

Keywords
PACS
  • 34.20.Gj
    Intermolecular and atom–molecule potentials and forces
  • 36.20.Kd
    Electronic structure and spectra of macromolecules
  • YEAR: 2007

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 (18)
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. F. London, Z. Phys. Chem. Abt. B 11, 22 (1930).
  2. M. J. McIntire, E. S. Manas, and F. C. Spano, J. Chem. Phys. 107, 8152 (1997).
  3. E. S. Manas and F. C. Spano, J. Chem. Phys. 109, 8087 (1998).
  4. J. Cornil, D. A. dos Santos, X. Crispin, R. Silbey, and J. L. Brédas, J. Am. Chem. Soc. 120, 1289 (1998).
  5. D. Beljonne, J. Cornil, R. Silbey, P. Millié, and J. L. Brédas, J. Chem. Phys. 112, 4749 (2000).
  6. W. Barford, J. Chem. Phys. 126, 134905 (2007).
  7. L. Salem, J. Chem. Phys. 37, 2100 (1962).
  8. C. A. Coulson and P. L. Davies, Trans. Faraday Soc. 48, 777 (1952).
  9. E. F. Haugh and J. O. Hirschfelder, J. Chem. Phys. 23, 1778 (1955).
  10. H. Sternlicht, J. Chem. Phys. 40, 1175 (1964).
  11. M. M.-L. Grage, Y. Zaushitsyn, A. Yartsev, M. Chachisvilis, V. Sundström, and T. Pullerits, Phys. Rev. B 67, 205207 (2003).
  12. W. J. D. Beenken and T. Pullerits, J. Chem. Phys. 120, 2490 (2004).
  13. F. London, J. Phys. Chem. 42, 305 (1942).
  14. W. Barford, R. J. Bursill, and R. W. Smith, Phys. Rev. B 66, 115205 (2002).
  15. W. Barford, Electronic and Optical Properties of Conjugated Polymers (Oxford University Press, Oxford, 2005).
  16. T. Pullertis, O. Mirav, and I. G. Scheblykin, J. Phys. Chem. B 109, 19099 (2005).
  17. O. Mirav, T. Pullertis, F. Cichos, C. von Borczyskowski, and I. G. Scheblykin, Chem. Phys. Lett. 408, 317 (2005).
  18. Z. G. Soos, G. W. Hayden, P. C. M. McWilliams, and S. Etemad, J. Chem. Phys. 93, 7439 (1990).

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