NDLI: Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide.

Please wait, while we are loading the content...

Year: 2017 Volume: 181

Year: 2017 Volume: 180

Year: 2017 Volume: 179

Year: 2017 Volume: 178

Year: 2017 Volume: 177

Year: 2017 Volume: 176

Year: 2017 Volume: 175

Year: 2017 Volume: 174

Year: 2017 Volume: 173

Year: 2017 Volume: 171

Year: 2017 Volume: 170

Year: 2016 Volume: 174

Year: 2016 Volume: 169

Year: 2016 Volume: 168

Year: 2016 Volume: 167

Year: 2016 Volume: 166

Year: 2016 Volume: 165

Year: 2016 Volume: 164

Year: 2016 Volume: 163

Year: 2016 Volume: 162

Year: 2016 Volume: 161

Year: 2016 Volume: 160

Year: 2016 Volume: 159

Year: 2016 Volume: 158

Year: 2016 Volume: 157

Year: 2016 Volume: 156

Year: 2016 Volume: 155

Year: 2016 Volume: 154

Year: 2016 Volume: 153

Year: 2016 Volume: 152

Year: 2015 Volume: 151

Year: 2015 Volume: 150

Year: 2015 Volume: 149

Year: 2015 Volume: 148

Year: 2015 Volume: 147

Year: 2015 Volume: 146

Year: 2015 Volume: 145

Year: 2015 Volume: 144

Year: 2015 Volume: 143

Year: 2015 Volume: 142

Year: 2015 Volume: 141

Year: 2015 Volume: 140

Year: 2015 Volume: 139

Year: 2015 Volume: 138

Year: 2015 Volume: 137

Year: 2015 Volume: 136

Year: 2015 Volume: 136 Pt A

Year: 2015 Volume: 136 Pt B

Year: 2015 Volume: 136 Pt C

Year: 2015 Volume: 135

Year: 2015 Volume: 134

Year: 2014 Volume: 133

Year: 2014 Volume: 132

Year: 2014 Volume: 131

Year: 2014 Volume: 130

Year: 2014 Volume: 129

Year: 2014 Volume: 128

Year: 2014 Volume: 127

Year: 2014 Volume: 126

Year: 2014 Volume: 125

Year: 2014 Volume: 124

Year: 2014 Volume: 123

Year: 2014 Volume: 122

Year: 2014 Volume: 121

Year: 2014 Volume: 120

Year: 2014 Volume: 119

Year: 2014 Volume: 118

Year: 2014 Volume: 117

Mn(II) and Cu(II) complexes of a bidentate Schiff's base ligand: spectral, thermal, molecular modelling and mycological studies.

An experimental and theoretical study on the novel (Z)-1-((naphthalen-2-ylamino)methylene)naphthalen-2(1H)-one crystal.

Growth, structure and spectral studies of a novel mixed crystal potassium zinc manganese sulphate.

Ion imprinted polymeric nanoparticles for selective separation and sensitive determination of zinc ions in different matrices.

Non-invasive investigation on a VI century purple codex from Brescia, Italy.

Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide.

The organotin coordination polymer [(n-Bu3Sn)4Fe(CN)6H2O] as effective catalyst towards the oxidative degradation of methylene blue.

Pressure-tuning micro-Raman spectra of artists' pigments: - and ß-copper phthalocyanine polymorphs.

Novel mixed ligand complexes of bioactive Schiff base (E)-4-(phenyl (phenylimino) methyl) benzene-1,3-diol and 2-aminophenol/2-aminobenzoic acid: synthesis, spectral characterization, antimicrobial and nuclease studies.

Reduced and oxidised scytonemin: theoretical protocol for Raman spectroscopic identification of potential key biomolecules for astrobiology.

Quantum chemical characterization of N-(2-hydroxybenzylidene)acetohydrazide (HBAH): a detailed vibrational and NLO analysis.

Spectroscopic studies of micelle-enhanced ligand exchange of gallium (III)/4-(2-pyridylazo) resorcinol complex by calf thymus DNA.

Synthesis and spectral characterization of Schiff base complexes of Cu(II), Co(II), Zn(II) and VO(IV) containing 4-(4-aminophenyl)morpholine derivatives: antimicrobial evaluation and anticancer studies.

Ground and excited states of the diatomic dianion Cl2(2-).

Spectroscopic, microscopic and catalytic properties of silver nanoparticles synthesized using Saraca indica flower.

Accurate calculations on 9 Λ-S and 28 Ω states of NSe radical in the gas phase: potential energy curves, spectroscopic parameters and spin-orbit couplings.

Synthesis, spectroscopic characterization and antimicrobial activity of binuclear metal complexes of a new asymmetrical Schiff base ligand: DNA binding affinity of copper(II) complexes.

Synthesis, spectral and electrochemical studies of binuclear Ru(III) complexes containing dithiosemicarbazone ligand.

Experimental and DFT studies on the vibrational and electronic spectra of 2-(1H-Imidazo [4,5-ƒ][1,10]phenanthrolin-2-yl)phenol.

Optical properties of unsymmetrical azomethines with one imine bonds.

A Raman spectroscopic comparison of calcite and dolomite.

Exploring the site-selective binding of jatrorrhizine to human serum albumin: spectroscopic and molecular modeling approaches.

A new resonance Rayleigh scattering spectral method for determination of O3 with victoria blue B.

Four coordinate tin complexes: synthesis, characterization, thermodynamic and theoretical calculations.

Effect of donor (tetradecyloxy) and acceptor (carboxamide) groups in trans-stilbene for DSSCs: quantum chemical investigations.

Spectral and computational studies in substituted pyrrolyl styryl ketones--assessment of substituent effects.

Facile synthesis of N-acetyl-L-cysteine capped CdHgSe quantum dots and selective determination of hemoglobin.

Spectroscopic properties of Sm3+ doped lead bismosilicate glasses using Judd-Ofelt theory.

Optical properties of ammonium uranyl fluoride characterized by photoluminescence and photoacoustic spectroscopy.

SERS study of different configurations of pharmaceutical and natural product molecules ginsenoside Rg3 under the interaction with human serum albumin on simple self-assembled substrate.

Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on pycolinaldehyde oxime.

A theoretical study on the molecular structure and vibrational (FT-IR and Raman) spectra of new organic-inorganic compound [N(C3H7)4]2SnCl6.

The spectroscopic (FT-IR, FT-Raman, UV and NMR) first order hyperpolarizability and HOMO-LUMO analysis of dansyl chloride.

Photoluminescence behavior of europium (III) complexes containing 1-(4-tert-butylphenyl)-3-(2-naphthyl)-propane-1,3-dione ligand.

Trans/cis isomerization of [RuCl2{H2C=C(CH2PPh2)2)}(diamine)] complexes: synthesis, spectral, crystal structure and DFT calculations and catalytic activity in the hydrogenation of ,ß-unsaturated ketones.

Synthesis, growth and spectroscopic investigation of an organic molecular charge transfer crystal: 8-hydroxy quinolinium 4-nitrobenzoate 4-nitrobenzoic acid.

Preliminary investigation of anticancer activity by determining the DNA binding and antioxidant potency of new ferrocene incorporated N,N',Nâ ³-trisubstituted phenylguanidines.

Spectroscopic characterization of manganese minerals.

Effects of the substitution of P2O5 by B2O3 on the structure and dielectric properties in (90-x) P2O5-xB2O3-10Fe2O3 glasses.

Ionic desorption in PMMA-gamma-Fe2O3 hybrid materials induced by fast electrons: an experimental and theoretical investigation.

Conformational analysis, intramolecular hydrogen bonding, and vibrational assignment of 4,4-dimethyl-1-phenylpentane-1,3-dione.

Raman scattering studies on PEG functionalized hydroxyapatite nanoparticles.

A spectrophotometric flow injection system for streptomycin determination in veterinary samples.

Theoretical vibrational spectra and thermodynamics of organic semiconductive tetrathiafulvalene and its cation radical.

Spectral modelling near the 1.6 µm window for satellite based estimation of CO2.

The computational and experimental investigations of photophysical and spectroscopic properties of BF2 dipyrromethene complexes.

Function of minerals in the natural radioactivity level of Vaigai River sediments, Tamilnadu, India--spectroscopical approach.

Synthesis, spectroscopy and computational studies of selected hydroxyquinolines and their analogues.

Copper(II) complexes of N-(2-{[(2E)-2-(2-Hydroxy-(5-substituted)-benzylidene)-hydrazino]carbonyl}phenyl)benzamide ligands and heterocyclic coligands.

Metal based pharmacologically active agents: synthesis, structural characterization, molecular modeling, CT-DNA binding studies and in vitro antimicrobial screening of iron(II) bromosalicylidene amino acid chelates.

Study on the modulation of spectral properties of the formylperylene-methanol clusters by excited-state hydrogen bonding strengthening.

Fluorescent 1:2 demultiplexer and half-subtractor based on the hydrolysis of N-salicylidene-3-aminopyridine.

Enhanced luminescence in SrMgAl(x)O(17±Î´):yMn4+ composite phosphors.

Spectroscopic properties of five-coordinated Co2+ in phosphates.

Cytotoxic behavior and spectroscopic characterization of metal complexes of ethylacetoacetate bis(thiosemicarbazone) ligand.

Classification of diesel pool refinery streams through near infrared spectroscopy and support vector machines using C-SVC and ν-SVC.

Spectroscopic (FT-IR, FT-Raman), first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 2,4-bis(2-methoxyphenyl)-1-phenylanthracene-9,10-dione by ab initio HF and density functional methods.

Synthesis and application of surface-imprinted activated carbon sorbent for solid-phase extraction and determination of copper (II).

Vibrational spectroscopy of the borate mineral pinnoite MgB2O(OH)6.

Comprehensive physicochemical studies of a new hybrid material: 2-amino-4-methyl-3-nitropyridinium hydrogen oxalate.

A variational algebraic method used to study the full vibrational spectra and dissociation energies of some specific diatomic systems.

Molecular structure and vibrational bands and 13C chemical shift assignments of both enmein-type diterpenoids by DFT study.

IBIL analysis of road dust samples from San Bernardo tunnel.

Intramolecular resonance-assisted hydrogen bonds: a theoretical description by means of atomic charges and charge fluxes.

Vibrational spectroscopic study of the uranyl selenite mineral derriksite Cu4UO2(SeO3)2(OH)6·H2O.

Raman study of vibrational dynamics of aminopropylsilanetriol in gas phase.

Spectroscopic, thermal analysis and DFT computational studies of salen-type Schiff base complexes.

Synthesis, molecular docking and biological evaluation of new steroidal 4H-pyrans.

Spectroscopic and biological activities studies of bivalent transition metal complexes of Schiff bases derived from condensation of 1,4-phenylenediamine and benzopyrone derivatives.

FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; X=F, Cl, Br, I).

Novel fluorescent 1,8-naphthalimide derivatives containing thiophene and pyrazole moieties: synthesis by direct C-H arylation and evaluation of photophysical and electrochemical properties.

The influencing factors of nanosecond pulse homogeneous dielectric barrier discharge in air.

Synthesis and solvent-dependent photochromic reactions of porphyrin-spiropyran hybrid compounds.

Molecular mechanics force field-based general map for the solvation effect on amide I probe of peptide in different micro-environments.

Experimental and theoretical study of p-nitroacetanilide.

Solvent and structural effects on the UV absorption spectra of N-(substituted phenyl)-2-cyanoacetamides.

Spectrophotometric determination of hydrogen peroxide with osmium(VIII) and m-carboxyphenylfluorone.

Reinvestigation of growth of thiourea urea zinc sulfate crystal.

Synthesis, spectroscopic, coordination and biological activities of some organometallic complexes derived from thio-Schiff base ligands.

Anion sensing and F(-)-induced reversible photoreaction of D-π-A type dye containing imidazole moiety as donor.

Synthesis of iron-based nanoparticles using oolong tea extract for the degradation of malachite green.

Spectroscopic investigation on interaction and sonodynamic damage of Riboflavin to DNA under ultrasonic irradiation by using Methylene Blue as fluorescent probe.

Inclusion complexes of cypermethrin and permethrin with monochlorotriazinyl-beta-cyclodextrin: a combined spectroscopy, TG/DSC and DFT study.

DFT calculations and electronic absorption spectra of some, - and Î³-pyrone derivatives.

Thermal annealing effects on multi-walled carbon nanotube yarns probed by Raman spectroscopy.

Spectral and structural studies of the anti-cancer drug Flutamide by density functional theoretical method.

Synthesis, spectroscopic and DFT studies of novel fluorescent dyes: 3-aminoimidazo[1,2-a]pyridines possessing 4-pyrone moieties.

Structural, optical and morphological analyses of pristine titanium di-oxide nanoparticles--synthesized via sol-gel route.

Static and dynamic model fluorescence quenching of laser dye by carbon tetrachloride in binary mixtures.

Spectroscopic characterization of charge transfer complexes of 2,3-diaminopyridine with chloranilic acid and dihydroxy-p-benzoquinone in polar solvent.

Effect of Curcumin on the metal ion induced fibrillization of amyloid-ß peptide.

Effect of substituent of terpyridines on the in vitro antioxidant, antitubercular, biocidal and fluorescence studies of copper(II) complexes with clioquinol.

Anharmonic IR and Raman spectra and electronic and vibrational (hyper)polarizabilities of barbituric, 2-thiobarbituric and 2-selenobarbituric acids.

Experimental and theoretical study of absorption spectrum of the (CH3)2CO···HF complex. Influence of anharmonic interactions on the frequency and intensity of the C=O and H-F stretching bands.

Photophysical investigations on supramolecular fullerene/phthalocyanine charge transfer interactions in solution.

Synthesis, spectral features and biological activity of some novel hetarylazo dyes derived from 8-chloro-4-hydroxyl-2-quinolone.

Brown seaweed pigment as a dye source for photoelectrochemical solar cells.

IR spectroscopic study of the HCl···O3 molecular complex in liquid argon.

Interactions of fish gelatin and chitosan in uncrosslinked and crosslinked with EDC films: FT-IR study.

Synthesis, crystal structure and luminescence properties of the Ln(III)-picrate complexes with 1-ethyl-3-methylimidazolium as countercations.

Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y=Br, Cl; bdmim=1-butyl-2,3-dimethylimidazolium) by combined application of Raman spectroscopy and solid-state DFT calculations.

Comment on the paper 'Synthesis, growth, structural, spectral, thermal, chemical etching, linear and nonlinear optical and mechanical studies of an organic single crystal 4-chloro 4-nitrostilbene (CONS): a potential NLO material' by P.M. Dinakaran, S. Kalainathan [Spectrochim. Acta A 111 (2013) 123-130].

Simple and sensitive colorimetric sensors for the selective detection of Cu2+ in aqueous buffer.

Vibrational spectra and theoretical calculations (dimerization, UV-Vis, multinuclear NMR and pes analyses) of 3,4-dimethylbenzamide and 3,4,5-trihydroxybenzamide.

Year: 2013 Volume: 116

Year: 2013 Volume: 115

Year: 2013 Volume: 114

Year: 2013 Volume: 113

Year: 2013 Volume: 112

Year: 2013 Volume: 111

Year: 2013 Volume: 110

Year: 2013 Volume: 109

Year: 2013 Volume: 108

Year: 2013 Volume: 107

Year: 2013 Volume: 106

Year: 2013 Volume: 105

Year: 2013 Volume: 104

Year: 2013 Volume: 103

Year: 2013 Volume: 102

Year: 2013 Volume: 101

Year: 2013 Volume: 100

Year: 2012 Volume: 99

Year: 2012 Volume: 98

Year: 2012 Volume: 97

Year: 2012 Volume: 96

Year: 2012 Volume: 95

Year: 2012 Volume: 94

Year: 2012 Volume: 93

Year: 2012 Volume: 92

Year: 2012 Volume: 91

Year: 2012 Volume: 90

Year: 2012 Volume: 89

Year: 2012 Volume: 88

Year: 2012 Volume: 87

Year: 2012 Volume: 86

Year: 2012 Volume: 85

Year: 2011 Volume: 84

Year: 2011 Volume: 83

Year: 2011 Volume: 82

Year: 2011 Volume: 81

Year: 2011 Volume: 80

Year: 2011 Volume: 79

Year: 2011 Volume: 78

Year: 2010 Volume: 77

Year: 2010 Volume: 76

Year: 2010 Volume: 75

Year: 2009 Volume: 74

Year: 2009 Volume: 73

Quantum mechanical and spectroscopic (FT-IR, 13C, 1H NMR and UV) investigations of potent antiepileptic drug 1-(4-chloro-phenyl)-3-phenyl-succinimide.

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Vitnik, Vesna D. Vitnik, Zeljko J. Juranic, Ivan O. Valentic, Natasa V. Banjac, Nebojsa R. Uscumlic, Gordana S.
Description	Author Affiliation: Vitnik VD ( Department of Chemistry, IChTM, University of Belgrade, Studentski trg 12-16, 11001 Belgrade, Serbia. Electronic address: vesnak@chem.bg.ac.rs.)
Abstract	This study represents an integrated approach towards understanding the vibrational, electronic, NMR, and structural aspects, and reactivity of 1-(4-chloro-phenyl)-3-phenyl-succinimide (CPPS). A detailed interpretation of the FT-IR, UV and NMR spectra were reported. The equilibrium geometry, bonding features, and harmonic vibrational frequencies have been investigated with the help of density functional theory (DFT) B3LYP method using 6-31G(d,p) and 6-311++G(d,p) basis set. The scaled theoretical wavenumber showed very good agreement with the experimental values. The (1)H and (13)C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by the Gauge-Invariant Atomic Orbital (GIAO) method. Stability of the molecule, arising from hyperconjugative interactions and charge delocalization, has been analyzed using Natural Bond Orbital (NBO) analysis. The results show that ED in the σ() and π() antibonding orbitals and second order delocalization energies E(2) confirm the occurrence of intramolecular charge transfer (ICT) within the molecule. UV-Vis spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies, were calculated by Time-Dependent DFT (TD-DFT) approach. To estimate chemical reactivity of the molecule, the molecular electrostatic potential (MEP) surface map is calculated for the optimized geometry of the molecule.
ISSN	13861425
Volume Number	117
e-ISSN	18733557
Journal	Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Language	English
Publisher	Elsevier
Publisher Date	2014-01-03
Publisher Place	Great Britain (UK)
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Anticonvulsants Chemistry Magnetic Resonance Spectroscopy Quantum Theory Spectrophotometry, Ultraviolet Spectroscopy, Fourier Transform Infrared Succinimides Models, Molecular Spectrum Analysis, Raman Journal Article Research Support, Non-u.s. Gov't Discipline Spectroscopy
Content Type	Text
Resource Type	Article
Subject	Spectroscopy Atomic and Molecular Physics, and Optics Analytical Chemistry Instrumentation

Central Library (ISO-9001:2015 Certified)
Indian Institute of Technology Kharagpur
Kharagpur, West Bengal, India | PIN - 721302

See location in the Map
03222 282435
Mail: support@ndl.gov.in

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in