Structure of Zone-Cast HBC−C12H25 Films
The structure of a thin zone-cast film of the hexa-n-dodecyl-substituted hexa-peri-benzocoronene (HBC) has been investigated using grazing incidence X-ray diffraction. A model with an orthorhombic unit cell containing two molecules accounts well for the observations. The molecules are arranged in a...
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Published in | Journal of the American Chemical Society Vol. 127; no. 32; pp. 11288 - 11293 |
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Main Authors | , , , , , , , |
Format | Journal Article |
Language | English |
Published |
Washington, DC
American Chemical Society
17.08.2005
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Subjects | |
Online Access | Get full text |
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Summary: | The structure of a thin zone-cast film of the hexa-n-dodecyl-substituted hexa-peri-benzocoronene (HBC) has been investigated using grazing incidence X-ray diffraction. A model with an orthorhombic unit cell containing two molecules accounts well for the observations. The molecules are arranged in a “herringbone” structure resembling the packing observed for unsubstituted HBC. The molecular disk planes are oriented perpendicularly to the substrate, rotated by approximately 39° about the film normal. The relatively long side chains of dodecyl were found to be in an ordered interdigitated state. The aliphatic side chains and the aromatic HBC-cores segregate to form regular vertical domains spanning the film thickness. For in-plane rocking scans a discrete orientation distribution is observed with peaks at regular angle intervals. We interpret this as a grain boundary effect induced by alkyl chain stacking faults. |
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Bibliography: | ark:/67375/TPS-31BDL7LZ-8 istex:EC3BF9FB34509772ED9E5BA4F905D4B25213A33B ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0002-7863 1520-5126 |
DOI: | 10.1021/ja042355e |