Journal
MOLECULAR CRYSTALS AND LIQUID CRYSTALS
Volume 566, Issue -, Pages 33-37Publisher
TAYLOR & FRANCIS LTD
DOI: 10.1080/15421406.2012.701113
Keywords
g tensor; rubrene; oligoacene, pentacene; density functional theory; electron spin resonance; organic field-effect transistor
Funding
- Grants-in-Aid for Scientific Research [22340080, 24560004, 24654087] Funding Source: KAKEN
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Using density functional theory calculations, molecular g tensors are theoretically investigated for rubrene and oligoacenes. The anisotropy in the calculated g shifts of rubrene well explains experimental results observed by field-induced electron spin resonance (FI-ESR) measurements. We demonstrate that the combination of the FI-ESR technique and the calculation of molecular g tensor is a quite useful approach to determine the molecular orientation at interfaces in organic field-effect transistors.
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