Electronic structure and optical properties of Schiff base hydrazone derivatives by solution technique for optoelectronic devices: Synthesis, experiment and quantum chemical investigation

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Küçük Resim

Tarih

2019

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Elsevier Science Bv

Erişim Hakkı

info:eu-repo/semantics/closedAccess

Özet

In this study, electronic, optical and spectroscopic FT-IR, UV properties of new synthesized Schiff base hydrazone derivatives, 1-(4-nitrophenyl)-2-(4-phenoxybenzylidene)hydrazone and 1-(2,4-dinitropheny1)-2-(4-phenoxybenzylidene)hydrazone are investigated by performing solution techniques and theoretical calculations. Solvatochromism and solute-solvent interactions were discussed based on the spectral results. It is observed that Schiff base hydrazone derivatives exhibit positive solvatochromism. Energy band gap E-g is determined experimentally and theoretically in solution. Concentration effect on E-g was investigated in DCM solvent for different molarities of solute. It is observed that solvent and concentration can be used for tuning E-g. NO2 substituent group gives rise to E-g value lows 0.3 eV. The refractive index (n) values were obtained from Moss, Ravindra, Herve-Vandamme, Kumar-Singh and Reddy relations based on E-g data. It is observed that n can be controlled with solvents and concentration of solutions. External electric field (EF) is theoretically applied in order to tuning HOMO-LUMO gap and dipole moment. Consequently, Schiff base hydrazone derivatives intend to be insulator under applied EF. (C) 2018 Elsevier B.V. All rights reserved.

Açıklama

Anahtar Kelimeler

Hydrazone, Schiff Base, Optical Properties, Energy Band Gap, Refractive Index, Density Functional Theory, Electric Field

Kaynak

Journal Of Molecular Structure

WoS Q Değeri

Q3

Scopus Q Değeri

Q2

Cilt

1176

Sayı

Künye