Nano Research

, Volume 5, Issue 2, pp 117–123 | Cite as

Is graphene aromatic?

Research Article

Abstract

We analyze the chemical bonding in graphene using a fragmental approach, the adaptive natural density partitioning method, electron sharing indices, and nucleus-independent chemical shift indices. We prove that graphene is aromatic, but its aromaticity is different from the aromaticity in benzene, coronene, or circumcoronene. Aromaticity in graphene is local with two π-electrons delocalized over every hexagon ring. We believe that the chemical bonding picture developed for graphene will be helpful for understanding chemical bonding in defects such as point defects, single-, double-, and multiple vacancies, carbon adatoms, foreign adatoms, substitutional impurities, and new materials that are derivatives of graphene. Open image in new window

Keywords

Graphene aromaticity adaptive natural density partitioning (AdNDP) chemical bonding electronic aromaticity indices multicenter indice (MCI) 

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Copyright information

© Tsinghua University Press and Springer-Verlag Berlin Heidelberg 2011

Authors and Affiliations

  1. 1.Department of Chemistry and BiochemistryUtah State UniversityLoganUSA
  2. 2.Department of Physical and Colloid ChemistryPeoples’ Friendship University of RussiaMoscowRussian Federation

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