Energetic Disorder in Higher Fullerene Adducts: A Quantum Chemical and Voltammetric Study

$51.00 plus tax (Refund Policy)

Download / Buy Article:

Abstract:

Predicting Energetic Disorder: A quantum chemical method is used to calculate the LUMO energies of all possible isomers of the bis and tris adducts of the fullerene, [6,6]‐phenyl‐C61‐butyric acid methyl ester (PCBM). The calculated energy level distributions agree well with the observed mean and spread of LUMO energies as determined using solution differential pulse voltammetry (DPV). We propose this method as a powerful tool for the design and functional optimisation of novel fullerenes, as well as other classes of pi‐conjugated molecules with multiple isomers.

Document Type: Communications

DOI: http://dx.doi.org/10.1002/adma.201002189

Affiliations: Department of Physics, Imperial College London, London, SW7 2AZ (UK)

Publication date: November 16, 2010

Related content

Tools

Favourites

Share Content

Access Key

Free Content
Free content
New Content
New content
Open Access Content
Open access content
Subscribed Content
Subscribed content
Free Trial Content
Free trial content
Cookie Policy
X
Cookie Policy
ingentaconnect website makes use of cookies so as to keep track of data that you have filled in. I am Happy with this Find out more