Effect of substitution on the excited state photophysical and spectral properties of boron difluoride curcumin complex dye and their derivatives: A time dependent-DFT study

The optical, charge transport and electronic properties of boron difluoride curcumin (BFC) complex have been explored using the DFT (Density Functional Theory) method and B3LYP functional with the combination of 6−31 + G(d,p) as a basis set. The influence of substitution with various electron releas...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Journal of photochemistry and photobiology. B, Biology Biology, 2019-10, Vol.199, p.111595-111595, Article 111595
Hauptverfasser:	Selvam, Karthick, Gandhi, Sivaraman, Krishnamurty, Sailaja, Gopalakrishnan, Gopu
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption Amines - chemistry Benzene - chemistry Boron Boron Compounds - chemistry Boron difluoride curcumin Charge materials Charge transport Curcumin Curcumin - chemistry Density Functional Theory Derivatives Difluorides Diodes Dipole moments Electron Transport Electronic properties Electrons Emission Emission spectra Energy gap Fluorescence Fluorescent Dyes - chemistry Kinetics Models, Molecular Molecular orbitals Molecular Structure Optical properties Organic light emitting diodes Releasing Structure-Activity Relationship Substitutes Time dependence Time-dependent density functional theory
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!