FTIR, Raman spectra and ab initio calculations of 2-mercaptobenzothiazole

Amareshwar, K.; Singh, Rachana; Singh, Kamalendra; Singh, Varun

doi:10.1016/j.saa.2005.05.034

Cited by 88 publications

(48 citation statements)

References 12 publications

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“…This supports the previous prediction that thione form (II) is the predominant component in thione-thiol tautomeric equilibrium. [45][46][47] Significant discrepancy is noted in the 692 cm À1 band intensity between the experimental FT-Raman spectrum and the calculated ones. We have tried PCM and CPCM solvent models and different density function theories, but the predicted Raman spectra are similar.…”

Section: Vibrational Assignmentsmentioning

confidence: 82%

Resonance Raman spectroscopic and density functional theory investigation of the excited state structural dynamics of 2‐mercapto‐1‐methylimidazole

Jian

Zhang

Chen

et al. 2012

J Raman Spectroscopy

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The resonance Raman spectroscopy in conjunction with the density functional theory calculations were used to study the excited state structural dynamics of 2-mercapto-1-methylimidazole (MMI). The experimental UV absorption bands were assigned according to the time-dependent density functional calculations. The vibrational assignments were done for the A-band resonance Raman spectra of MMI in water and acetonitrile on the basis of the Fourier transform infrared (FT-IR) and FT-Raman measurements in solid, in water and in acetonitrile and the corresponding B3LYP/6-311+G(d, p) computations. The dynamic structures of MMI were obtained by analysis of the resonance Raman intensity pattern and normal mode analysis. The differences in the dynamic structures of MMI and thiourea were revealed and explained. The structural dynamic of MMI was found to be similar to that of 2-thiopyrimidone in terms of major reaction coordinates and thus favored the intramolecular proton transfer reaction.

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Section: Vibrational Assignmentsmentioning

confidence: 82%

Resonance Raman spectroscopic and density functional theory investigation of the excited state structural dynamics of 2‐mercapto‐1‐methylimidazole

Jian

Zhang

Chen

et al. 2012

J Raman Spectroscopy

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“…This forms hydrogen bonding with the reactive functional groups like CH 2 OH, NH 2 , and NH present in the resin [44]. Some sharp bands are also observed because of hydrogen bonded interaction followed by more cross linking which occurs during methylenization reaction [45,46]. The cross linking between two methylol groups provides ether linkages ( CH 2 O CH 2 ) to which NH is attached on both the sides.…”

Section: Ftir Spectramentioning

confidence: 98%

Self healing coatings containing dual active agent loaded urea formaldehyde (UF) microcapsules

Siva

Sathiyanarayanan

2015

Progress in Organic Coatings

108

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“…The spectrum shows the red shift with increasing the molar concentration of silver nitrate. It indicates the increase of mean diameter of the silver nanoparticles as the concentration increases (Rai et al 2006;Song and Kim 2009;Fayaz et al 2009). …”

Section: Uv-visible Spectrummentioning

confidence: 99%

“…Electrons are limited to specific vibrations modes by the particle's size and shape. The frequency and width of the surface plasmon absorption depend on the size and shape of the metal nanoparticles (Wang et al 2007) as well as on the dielectric constant of the metal itself and the surrounding medium (Rai et al 2006). Here the medium dielectric constant and temperature can be considered as the same but the mean diameter and morphology of the nanoparticles strongly affect the SPR band in aqueous solution (Wiley et al 2006).…”

Section: Uv-visible Spectrummentioning

confidence: 99%

A facile and rapid method for the black pepper leaf mediated green synthesis of silver nanoparticles and the antimicrobial study

2013

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Green synthesis of nanoparticles is widely accepted due to the less toxicity in comparison with chemical methods. But there are certain drawbacks like slow formation of nanoparticles, difficulty to control particle size and shape make them less convenient. Here we report a novel cost-effective and eco-friendly method for the rapid green synthesis of silver nanoparticles using leaf extracts of Piper nigrum. Our results suggest that this method can be used for obtaining silver nanoparticles with controllable size within a few minutes. The fabricated nanoparticles possessed excellent antibacterial property against both Gram-positive and Gram-negative bacteria.

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FTIR, Raman spectra and ab initio calculations of 2-mercaptobenzothiazole

Cited by 88 publications

References 12 publications

Resonance Raman spectroscopic and density functional theory investigation of the excited state structural dynamics of 2‐mercapto‐1‐methylimidazole

Resonance Raman spectroscopic and density functional theory investigation of the excited state structural dynamics of 2‐mercapto‐1‐methylimidazole

Self healing coatings containing dual active agent loaded urea formaldehyde (UF) microcapsules

A facile and rapid method for the black pepper leaf mediated green synthesis of silver nanoparticles and the antimicrobial study

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