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1

Insect antifeedant potent unsaturated 1,3-oxazine-2-amines

Thirunarayanan G., Renuka V., Sekar K.G., Lakshmanan K., Anbarasu K.

International Letters of Chemistry, Physics and Astronomy

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2014

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Vol. 4

66--81

EN

Insect antifeedant activities of some halo substituted aryl 1,3-oxazine-2-amines have been measured using 4th instar larvae Achoea Janata L by castor leaf discs-Dethler’s method. The highly halo substituted oxazine amines have shown good insect antifeedant activities. The 1,3-oxazine amines have been synthesised by greener method by solvent-free cyclization of aryl enones with urea under microwave irradiation. The yields of the oxazines were more than 80 %. The synthesised oxazines were characterized by their physical constants, analytical and spectroscopic data.

2

Insect antifeedant potent halogen substituted phenyl chalcones

Sundararajan R., Arulkumaran R., Vijayakumar S., Kamalakkannan D., Suresh R., John J. S., Ranganathan K., Sakthinathan S. P, Vanangamudi G., Thirunarayanan G.

International Letters of Chemistry, Physics and Astronomy

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2014

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Vol. 1

67-73

EN

Some 2′,3′,4′-trichlorophenyl chalcones [(E)-1-(2,3,4-trichlorophenyl)-3-(substituted phenyl)-2-propen-1-ones] have been synthesised using sulfated Titania catalyzed solvent-free aldol condensation between 2,3,4-trichloroacetophenone and substituted benzaldehydes. The purities of synthesised chalcones were checked by their analytical, physical and spectroscopic data reported in literature. The insect antifeedant activities of these chalcones have been studied using 4th instar larvae Achoea Janata L by castor leaf disc bio-assay method. The chloro substituted chalcones shows significant insect antifeedant activity.

3

Infrared and NMR spectral Hammett correlations in 4-(2-naphthyl)-5,6-dihydro-6-(substituted phenyl)-4H-1,3-oxazine-2-amines

Thirunarayanan G., Pazhamalai S., Sekar K. G.

International Letters of Chemistry, Physics and Astronomy

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2014

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Vol. 8

38--46

EN

A series containing ten titled compounds have been synthesised and recorded the IR and NMR spectra. From the spectra the infrared νNH, C=N, C-O-C stretches, NMR chemical shifts of (δ, ppm) NH and C=N were assigned and correlated with Hammett substituent constants, F and R parameters using single regression analysis. From the results, the effects of substituent on the above spectral frequencies were discussed.

4

Quantum chemical computational studies on bis-thiourea zinc acetate

Pir H., Günay N., Tamer O., Avci D., Tarcan E., Atalay Y.

Materials Science Poland

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2013

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Vol. 31, No. 3

357--371

EN

In this study, quantum chemical calculations of vibrational spectra, Raman spectra, electronic properties (total energy, dipole moment, electronegativity, chemical hardness and softness), Mulliken atomic charges and thermodynamic parameters of bis-thiourea zinc acetate (BTZA) have been performed using Gaussian 09 program. Additionally, nonlinear optical (NLO), conformational, natural bond orbital (NBO) analyses of BTZA have been carried out using the same program. The structural and spectroscopic data of the molecule in the ground state have been calculated using Hartree-Fock (HF) and density functional method (DFT/B3LYP) with the 6-311++G(d,p) basis set. In addition, the molecular frontier orbital energies (HOMO, HOMO-1, LUMO and LUMO+1) of the title compound have been calculated at the HF and B3LYP levels. The calculated HOMO and LUMO energies show that charge transfer occurs within the molecule. Finally, the calculated results were applied to simulate infrared and Raman spectra of the title compound which showed good agreement with the experimental ones.

5

Spectral correlations and antimicrobial activities of some (E)-N-Benzylidenepyridin-2-amines

Sakthinathan S. P., Suresh R., Mala V., Sathiyamoorthi K., Kamalakkannan D., Ranganathan K., Arulkumaran R., Vijayakumar S., Sundararajan R., Vanangamudi G., Thirunarayanan G.

International Letters of Chemistry, Physics and Astronomy

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2013

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Vol. 6

77-90

EN

A series of aryl imines have been synthesized by Fly-ash: PTS catalyzed microwave assisted oxidative coupling of amines and aldehydes under solvent-free conditions. The yield of the imines has been found to be more than 90 %. The purity of all imines has been checked using their physical constants and spectral data as published earlier in literature. The UV ?maxC=N(nm), infrared ?C=N(cm-1), NMR ?(ppm) of CH=N and C=N spectral data have been correlated with Hammett substituent constants and F and R parameters using single and multi-linear regression analysis. From the results of statistical analysis, the effect of substituents on the above spectral data has been studied. The antimicrobial activities of all imines have been studied using Bauer-Kirby method.

6

Solvent-free synthesis and spectral linearity of some (E)-2-(substituted benzylideneamino)-N-(3-chloro-4-fluorophenyl)-hexahydro-2H cyclopenta[b]thiophene-3-carboxamides

Thirunarayanan G., Sekar K. G.

International Letters of Chemistry, Physics and Astronomy

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2013

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Vol. 8, iss. 2

160-174

EN

Some (E)-2-(substituted benzylideneamino)-N-(3-chloro-4-fluorophenyl)-hexahydro-2H-cyclopenta[b]thiophene-3-carboxamide derivatives have been synthesized by SiO2:H3PO4 catalyzed solvent-free condensation of 2-amino-N-(3-chloro-4-fluorophenyl)-hexahydro-2H-cyclopenta [b]thiophene-3-carboxamide and various substituted benzaldehydes in microwave irradiation. The yield of the imine-carboximido derivatives has been found to be more than 85 %. The purity of all imine-carboximido derivatives has been checked using their physical constants and spectral data. The spectral data of the imine-carboximido derivatives such as infrared ? (cm-1) of CO, NH, C-N, C-Cl, C-F, C=N, and the NMR chemical shifts (?, ppm) of NH, CH, CO and C=N have been correlated with Hammett substituent constants, F and R parameters. From the results of statistical analysis, the effects of substituent on the above spectral group absorptions have been discussed.

7

IR & NMR spectral studies of some 7-substituted 9H-fluorenacyl bromides: Assessment of substituent effects

Thirunarayanan G.

International Letters of Chemistry, Physics and Astronomy

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2013

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Vol. 9, iss. 2

152-161

EN

A series of some 2-bromo-1-(2-substituted 9H-fluorene-7-yl)ethanones have been prepared. The purities of these ethanones have been checked by their physical constants and spectroscopic data. The spectral group frequencies of these enones have been assigned and correlated with Hammett substituent constants, F and R parameters. From the results of statistical analyses, the effects of substituent have been discussed.

8

Thionylchloride catalyzed aldol condensation: Synthesis, spectral correlation and antibacterial activities of some 3,5-dichloro-2-hydroxyphenyl chalcones

Arulkumaran R., Vijayakumar S., Sundararajan R., Sakthinathan S. P., Kamalakkannan D., Suresh R., Ranganathan K., Vanangamudi G., Thirunarayanan G.

International Letters of Chemistry, Physics and Astronomy

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2012

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Vol. 4

17-38

EN

A series of substituted styryl 3,5-dichloro-2-hydroxyphenyl ketones [1-(3, 5-dichloro-2-hydroxy)- 3-phenylprop-2-en-1-one] were synthesized using thionyl chloride assisted Crossed Aldol reaction. The yields of chalcones were more than 80%. The synthesized chalcones were characterized by analytical and spectroscopic data. From the spectroscopic data the group frequencies were correlated with Hammett substituent constants, F and R parameters. From the results of statistical analysis the effect of substituents were discussed. The antibacterial activities of these chalcones have been evaluated using Bauer-Kirby method.