Spectroscopic measurements and DFT calculations of vibrational frequencies of perylene and its derivatives in THz region

Author

Izutani, Yusuke ; Kitagishi, Keiko ; Osuga, Toshiaki ; Tsuzuki, Seiji

Author_Institution

Otsuka Electron. Co. Ltd., Osaka, Japan

fYear

2009

fDate

21-25 Sept. 2009

Firstpage

1

Lastpage

2

Abstract

THz spectra of perylene and its derivatives which are typical fluorescent guest materials of organic electroluminescent devices were obtained. For the materials, molecular orbital calculations were achieved. In the region between 0.1 and 3.0 THz, the number of observed absorption peaks is related to those obtained by DFT calculations. The frequencies of the absorption peaks were calculated for isolated molecules, which may be shifted by intermolecular interactions in crystals.

Keywords

density functional theory; fluorescence; organic compounds; terahertz wave spectra; vibrational modes; DFT calculations; THz spectra; fluorescent guest materials; intermolecular interactions; isolated molecules; molecular orbital calculations; organic electroluminescent devices; perylene; vibrational frequencies; Absorption; Crystalline materials; Electroluminescent devices; Extraterrestrial measurements; Fluorescence; Frequency measurement; Orbital calculations; Organic materials; Spectroscopy; Vibration measurement;

fLanguage

English

Publisher

ieee

Conference_Titel

Infrared, Millimeter, and Terahertz Waves, 2009. IRMMW-THz 2009. 34th International Conference on

Conference_Location

Busan

Print_ISBN

978-1-4244-5416-7

Electronic_ISBN

978-1-4244-5417-4

Type

conf

DOI

10.1109/ICIMW.2009.5324614

Filename

5324614