Jump to main content
Jump to site search
PLANNED MAINTENANCE Close the message box

Scheduled maintenance work on Wednesday 22nd May 2019 from 11:00 AM to 1:00 PM (GMT).

During this time our website performance may be temporarily affected. We apologise for any inconvenience this might cause and thank you for your patience.

Issue 43, 2009
Previous Article Next Article

Raman scattering of molecular graphenes

Author affiliations


A simplified theoretical approach for modeling the off-resonance Raman scattering of molecular models of confined graphene (polycyclic aromatic hydrocarbons, PAHs) is presented and compared with the results from density functional theory calculations. This theoretical analysis not only allows for a quick estimate of the Raman scattering activity, but also correlates the Raman response to simple quantities directly linked to the molecular electronic structure. Owing to its simplicity and computational convenience the model can be applied to extended graphitic systems. The results of the Hückel calculations of the off-resonance Raman bond polarizability parameters of nanometer sized armchair and zizgag graphene flakes are shown.

Graphical abstract: Raman scattering of molecular graphenes

Back to tab navigation

Supplementary files

Publication details

The article was received on 08 Jul 2009, accepted on 28 Aug 2009 and first published on 21 Sep 2009

Article type: Paper
DOI: 10.1039/B913660F
Phys. Chem. Chem. Phys., 2009,11, 10185-10194

  •   Request permissions

    Raman scattering of molecular graphenes

    M. Tommasini, C. Castiglioni and G. Zerbi, Phys. Chem. Chem. Phys., 2009, 11, 10185
    DOI: 10.1039/B913660F

Search articles by author