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The multiradical character of one- and two-dimensional graphene nanoribbons.

ABSTRACT: When is an acene stable? The pronounced multiradical character of graphene nanoribbons of different size and shape was investigated with high-level multireference methods. Quantitative information based on the number of effectively unpaired electrons leads to specific estimates of the chemical stability of graphene nanostructures.

SUBMITTER: Plasser F

PROVIDER: S-EPMC3648980 | biostudies-literature | 2013 Feb

REPOSITORIES: biostudies-literature

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The multiradical character of one- and two-dimensional graphene nanoribbons.

Plasser Felix F Pašalić Hasan H Gerzabek Martin H MH Libisch Florian F Reiter Rafael R Burgdörfer Joachim J Müller Thomas T Shepard Ron R Lischka Hans H

Angewandte Chemie (International ed. in English) 20130128 9

When is an acene stable? The pronounced multiradical character of graphene nanoribbons of different size and shape was investigated with high-level multireference methods. Quantitative information based on the number of effectively unpaired electrons leads to specific estimates of the chemical stability of graphene nanostructures. ...[more]

PMID: 23355507

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