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Required theoretical and experimental physical characteristics of tris[4-(diethylamino)phenyl] amine organic material

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Emine Tanış
Emine Tanış
Emine Tanış
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Emine Babur Şaş at Ahi Evran Üniversitesi
Emine Babur Şaş
Bayram Gunduz at Malatya Turgut Özal University
Bayram Gunduz
  • Malatya Turgut Özal University
Mustafa Kurt at Ahi Evran Üniversitesi
Mustafa Kurt
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Abstract and Figures

In here, we investigated the required theoretical and experimental physical characteristics such as potential energy surface scan, optimized structure, vibrational spectra, electronic band structure, molecular electrostatic potential surface, optical and optoelectronic behaviors of the tris[4-(diethylamino)phenyl] amine (TDAPA) for different solvents (DMF and chloroform) and techniques (experimental and theoretical). We obtained the significant, interesting, same and different results for them. We obtained the refractive indices of the TDAPA for various conditions. The TDAPA exhibits a normal dispersion behavior in visible region. TDAPA organic material is suitable for optoelectronic devices and applications such as metal–organic semiconductor diodes due to the appropriate properties.
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Vol.:(0123456789)
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Journal of Materials Science: Materials in Electronics (2018) 29:16111–16119
https://doi.org/10.1007/s10854-018-9700-1
Required theoretical andexperimental physical characteristics
oftris[4-(diethylamino)phenyl] amine organic material
EmineTanış1· EmineBaburSas2 · BayramGündüz3· MustafaKurt4
Received: 26 March 2018 / Accepted: 18 July 2018 / Published online: 27 July 2018
© Springer Science+Business Media, LLC, part of Springer Nature 2018
Abstract
In here, we investigated the required theoretical and experimental physical characteristics such as potential energy surface
scan, optimized structure, vibrational spectra, electronic band structure, molecular electrostatic potential surface, optical and
optoelectronic behaviors of the tris[4-(diethylamino)phenyl] amine (TDAPA) for different solvents (DMF and chloroform)
and techniques (experimental and theoretical). We obtained the significant, interesting, same and different results for them.
We obtained the refractive indices of the TDAPA for various conditions. The TDAPA exhibits a normal dispersion behavior
in visible region. TDAPA organic material is suitable for optoelectronic devices and applications such as metal–organic
semiconductor diodes due to the appropriate properties.
1 Introduction
Over the past decades, researchers and commercialized have
focused on the organic light emitting diodes (OLEDs). These
materials have a wide application in electrical, electronic,
optical, optoelectronic and photonic technology due to its
crystal structure, optoelectronic properties, panel displays
and lighting applications, easy conductivity control, good
environmental stability, corresponding to the visible spec-
trum, its energy gap of 2.5eV and low cost manufactur-
ing in large quantities [1–7]. Also these materials have high
contrast, low weight, flexibility and they can be rollable
or foldable to meet several special needs [8]. These wide
possible properties can be realized by analyzing the basic
science in involved in the operation the physics of OLEDs.
Triphenylamine (TPA) and related derivatives are widely
used as three-dimensional conjugated systems of organic
semiconductors (OSCs) with superior performance trans-
porting/hole-injecting behavior or luminophore materials in
LEDs due to the non-coplanarity geometry of the three phe-
nyl rings [9–11]. TPA-based compounds have been widely
applied as electroluminescence and hole transport materials
[10, 12–15] and their multifunctional and amorphous prop-
erties offer the possibilities to develop active materials for
organic fotovoltaic diodes and solar cells with charge trans-
port and isotropic optical properties [12]. On the other hand,
tris[4-(diethylamino)phenyl] amine (TDAPA) molecule is
used as a dopant of nanostructure film that it increasing car-
rier concentration [16].
In the present work, we investigated optoelectronic prop-
erties of TDAPA molecule for different solvents and molari-
ties. Also, the characterization of the TDAPA molecule was
theoretically performed by using the density function theory
(DFT) method, as well as in the use of the FT-IR, dispersive
Raman, UV–Vis measurements. Experimental and theoreti-
cal results were compared to better analysis. Investigation
of the spectroscopic and optoelectronic properties of the
TDAPA molecule is theoretically and experimentally impor-
tant for the formation of new OLED materials.
Electronic supplementary material The online version of this
article (https ://doi.org/10.1007/s1085 4-018-9700-1) contains
supplementary material, which is available to authorized users.
* Emine Babur Sas
baburemine@gmail.com
1 Kaman Vocational Schools, Ahi Evran University, Kırşehir,
Turkey
2 Department ofElectronics andAutomation, Ahi Evran
University, Kırşehir, Turkey
3 Department ofScience Education, Faculty ofEducation, Muş
Alparslan University, 49250Muş, Turkey
4 Department ofPhysics, Ahi Evran University, Kırşehir,
Turkey
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... It is generally established that charge-carrier transport is limited by hopping between molecules in the disordered region, and that molecular ordering must provide sufficient overlap of the p-orbitals of conjugated organic molecules to facilitate efficient charge migration between neighbouring molecules [14][15][16]. Organic molecules such as TDAPA are used as a dopant in nanostructure films to boost carrier concentration for organic optoelectronic devices such OFET [17][18][19]. Small molecule fluorophores are used in wide range of applications such as biophysics, molecular biology, medicine, and material sciences [20][21][22][23][24]. Such materials are widely adopted for the optoelectronic devices such as OFET and OLED, and to study their behaviour in different solvents is essential to understand its structural and electrical behaviour. ...
... The effect of different solvents, both Polar [Aprotic (DMF, Acetone and Acetonitrile) and Protic (Ethanol and Methanol)] and Non-Polar [Toluene and Chloroform] was explored using UV-Vis spectroscopy. The absorption spectrum of TDAPA in DMF and Chloroform was studied earlier by Tanis et al. [19]. In this study, the absorption spectrum of TDAPA in DMF and Chloroform is given in Figure 2, where for DMF absorption peak is observed at 263.7 nm and 320 nm and for Chloroform 281.8 nm, 318 nm and 404 nm, which suggest that in DMF solvent the absorption peak is in NUV (Near UV) and in Chloroform solvent peaks are in both NUV and Visible region. ...
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