Page 53 - IPCoSME 2021

1 INTERNATIONAL POSTGRADUATE CONFERENCE ON SCIENCE AND MARINE ENVIRONMENT 2021
st
(IPCoSME 2021)
“Environmental Sustainability Enhancement Through the Collaboration of Sciences”

RE-08

THEORETICAL ASSESSMENT AND SYNTHESIS OF CONJUGATED
ETHYNYLATED-CHALCONES AS ACTIVE ELECTROLUMINESCENCE

MATERIALS IN ORGANIC LIGHT EMITTING DIODES (OLEDs)

1*
MAS MOHAMMED , WAN MOHD KHAIRUL WAN MOHAMED ZIN , FAZIRA
1
ILYANA ABDUL RAZAK 2

1 Faculty of Science and Marine Environment, Universiti Malaysia Terengganu, 21030 Kuala
Nerus, Terengganu, Malaysia.
2 Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia, 81310 UTM
Johor Bahru, Johor, Malaysia.

*Corresponding author email: wmkhairul@umt.edu.my

Abstract: Conjugated ethynylated-chalcones exploration are rather scarce although their
molecular build-up should have attracted attention as active electronic components due to their
unique behaviour in exhibiting luminescence properties. Conjugated ethynylated-chalcone

derivatives consist of combination of two individual moieties of (C≡C) and chalcones in
extending their conjugated system with D-π-A system of different substitutions. Besides, the
presence of π-conjugated system makes the mobility of the electrons higher which gives
excellent luminescence properties. Therefore, in this study, four series of ethynylated
conjugated chalcones with general formula A−C2H2C(O)ArCCAr−D were successfully

synthesized which A consists of naphthalene (C10H8) (a), anthracene (C14H10) (b), pyrene
(C16H10) (c), triphenylamine (C18H15N) (d) substituents, while D having of H (1), NO2 (2), CN
(3), and CF3 (4) substituents. All compounds were characterized via typical spectroscopic and

analytical techniques including nonlinear optical (NLO) as well as IV curve characterization
and electroluminescence study. In turn, quantum chemical calculation using Gaussian 09 and
Gaussian 16 software were used to support and compare with the experimental findings. From
the results obtained, these derivatives have higher thermal stability and exhibit high
fluorescence properties. In addition, the energy gaps are relatively small which fall in

semiconducting materials range. These compounds also have excellent NLO behaviour by
showing higher first polarizability and able in conducting electricity while emitting light in
electroluminescence assessment. Therefore, with the findings, these types of molecular
framework bearing ethynylated-chalcones have good potential to be applied as active materials

in any microelectronic devices in the near future.

Keywords: ethynyl, chalcone, conjugation, nonlinear optical, OLEDs

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