Photo switchable pendant furyl and thienyl fulgimides containing polypyrroles

Nithyanandan, Sivasankaran; Kannan, P.

doi:10.1016/j.polymdegradstab.2013.08.020

Cited by 7 publications

(3 citation statements)

References 33 publications

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“…If the HOMO-LUMO gap is large, the molecules are highly stable and unreactive, while those with small gaps are generally reactive [64]. Using the HOMO-LUMO gap one can easily determine the excitation energy of oraganic derivative at its ground state [65]. The HOMO-LUMO plots are given in Fig.…”

Section: A C C E P T E D Accepted Manuscriptmentioning

confidence: 99%

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

Aswathy¹,

Mary

Jojo

et al. 2017

Journal of Molecular Structure

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Section: A C C E P T E D Accepted Manuscriptmentioning

confidence: 99%

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

Aswathy¹,

Mary

Jojo

et al. 2017

Journal of Molecular Structure

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“…30 The HOMO-LUMO energy gap was computed at B3LYP/6-31G (d,p) level basis set using DFT calculation (Gaussian 09). Fig.…”

Section: Homo-lumo Energy Gapmentioning

confidence: 99%

“…The difference between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of a neutral system is the easiest way used to calculate excitation energy at its ground state. 30 The HOMO-LUMO energy gap was computed at B3LYP/6-31G (d,p) level basis set using DFT calculation (Gaussian 09). Fig.…”

Section: Homo-lumo Energy Gapmentioning

confidence: 99%

Substitution effect on chalcone based materials for corrosion and photocrosslinking applications

Vanaraj

Anandhi²,

Kannan

2015

RSC Adv.

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Three different substituted novel chalcone based materials namely (E)-3-(4-(benzyloxy)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one (chalcone I), (E)-1-(4-(benzyloxy)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one (chalcone II) and (E)-1,3-bis(4-(benzyloxy)phenyl)prop-2-en-1-one (chalcone III) were designed and synthesized by a standard Claisen-Schmidt condensation reaction. The different surface morphologies of these materials were obtained from SEM (Scanning Electron Microscopy) analysis.Single crystal XRD studies of chalcone III indicate a monoclinic system with a space group of P2 1 /c. Thermal studies such as TGA, DSC and HOPM revealed good thermal stability, crystallinity and phase changing properties of material III. The HOMO, LUMO and bandgap energies of these three materials were calculated by theoretical (DFT) calculations. The electrochemical analysis involves Tafel plots and cyclic voltammetry studies to demonstrate high corrosion inhibition percentage and oxidation-reduction behaviour of materials I, II and III. Dissimilar photocrosslinking time of all three materials was obtained from micro photo-reactor and UV-visible spectrophotometry. The comparative and structural linearity statement reveals the outline view property of the similar chalcone families.

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Electronic, reactivity and third order nonlinear optical properties of thermally-stable push-pull chalcones for optoelectronic interest: Experimental and DFT assessments

Lee

Khairul

Lee

et al. 2021

Journal of Physics and Chemistry of Solids

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Photo switchable pendant furyl and thienyl fulgimides containing polypyrroles

Cited by 7 publications

References 33 publications

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study

Substitution effect on chalcone based materials for corrosion and photocrosslinking applications

Electronic, reactivity and third order nonlinear optical properties of thermally-stable push-pull chalcones for optoelectronic interest: Experimental and DFT assessments

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