We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C61 butyric acid methyl ester (PCBM) into a new crystalline phase where the C60 moieties are arranged in parallel layers. Minimum C60 center-to-center distance is 10A° within the layers, and up to 15A° perpendicular to the layers. Highly anisotropic, mesoscopic hexagonal crystals of this material, with a lateral size of many microns and a thickness below 1 lm, are obtained from chloroform solution by solvent vapor annealing, and characterized by optical microscopy and X-ray diffraction. The crystalline structure is deduced combining experimental data with molecular modeling and ab initio calculations. The large difference in C60–C60 spacing indicates a high anisotropy in electrical and charge transport properties of this new phase.
Anisotropic molecular packing of soluble C60 fullerenes in hexagonal nanocrystals obtained by solvent vapour annealing / R.Colle; G.Grosso; A.Ronzani; M.Gazzano; V.Palermo. - In: CARBON. - ISSN 0008-6223. - STAMPA. - 50:(2012), pp. 1332-1337. [10.1016/j.carbon.2011.11.003]
Anisotropic molecular packing of soluble C60 fullerenes in hexagonal nanocrystals obtained by solvent vapour annealing
COLLE, RENATO;GAZZANO, MASSIMO;
2012
Abstract
We describe the self-assembly of soluble, chemically modified fullerene [6,6]-phenyl C61 butyric acid methyl ester (PCBM) into a new crystalline phase where the C60 moieties are arranged in parallel layers. Minimum C60 center-to-center distance is 10A° within the layers, and up to 15A° perpendicular to the layers. Highly anisotropic, mesoscopic hexagonal crystals of this material, with a lateral size of many microns and a thickness below 1 lm, are obtained from chloroform solution by solvent vapor annealing, and characterized by optical microscopy and X-ray diffraction. The crystalline structure is deduced combining experimental data with molecular modeling and ab initio calculations. The large difference in C60–C60 spacing indicates a high anisotropy in electrical and charge transport properties of this new phase.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
