Ab initio, DFT vibrational calculations and SERRS study of Rhodamine 123 adsorbed on colloidal silver particles

Sarkar, Jyotirmoy; Chowdhury, Joydeep; Pal, Prabir; Talapatra, G. B.

doi:10.1016/j.vibspec.2006.01.012

Cited by 44 publications

(35 citation statements)

References 31 publications

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“…This band was ascribed to the C-H bending of the xanthene ring in Rh123. 13 We found that the adsorption behaviors of Rh6G and Rh123 inferred from the SERS study appeared to be analogous to each other in the Hg concentration region under our experimental condition.…”

Section: Resultssupporting

confidence: 67%

Gold Nanoparticle-Based Detection of Hg(II) in an Aqueous Solution: Fluorescence Quenching and Surface-Enhanced Raman Scattering Study

Ganbold¹,

Park²,

Ock³

et al. 2011

Bulletin of the Korean Chemical Society

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We studied the detection of the Hg(II) concentration in an aqueous solution using rhodamine dyes on citrate-reduced Au nanoparticles (NPs). The quenching effect from Au NPs was found to decrease as the Hg(II) concentration increased under our experimental conditions. As the fluorescence signals intensified, the surface-enhanced Raman scattering (SERS) intensities reduced on the contrary due to less rhodamine dyes on Au NPs as the Hg(II) concentration increased. The rhodamine 6G (Rh6G) and rhodamine 123 (Rh123) dyes were examined via fluorescence and SERS measurements depending on Hg(II) concentrations. Fast and easy fluorescence detection of an Hg (II) concentration as low as a few ppm could be achieved by naked eye using citrate-reduced Au NPs.

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Section: Resultssupporting

confidence: 67%

Gold Nanoparticle-Based Detection of Hg(II) in an Aqueous Solution: Fluorescence Quenching and Surface-Enhanced Raman Scattering Study

Ganbold¹,

Park²,

Ock³

et al. 2011

Bulletin of the Korean Chemical Society

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“…[10,25,65 -68] The frontier orbital theory plays a significant role in the understanding of the charge transfer mechanisms of SERS. [69,70] Two types of charge transfer mechanisms are predicted. One is molecule to metal and the other is metal to molecule.…”

Section: Surface-enhanced Raman Scattering (Sers)mentioning

confidence: 99%

Spectroscopic investigations and computational study of sulfur trioxide–pyridine complex

Anto

Varghese

et al. 2011

J Raman Spectroscopy

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The Fourier transform infrared (FT-IR) and FT-Raman spectra of sulfur trioxide-pyridine complex were recorded and analyzed. The potential-dependent surface-enhanced Raman scattering (SERS) was recorded from an electrochemically roughened silver electrode. The vibrational wave numbers of the compound were computed using the Hartree-Fock/6-31G * basis and compared with the experimental values. The presence of strong pyridine ring vibrations in the SERS spectrum reveals the interaction between the pyridine ring and the silver surface. The molecule is adsorbed on the silver surface with the pyridine ring in a tilted orientation. The direction of charge-transfer contribution to the SERS is discussed from the frontier orbital theory. The value of the calculated first hyperpolarizability is comparable to those reported for similar structures, which makes this molecule an attractive object for future studies of nonlinear optics. The optimized geometrical parameters of the title compound are in agreement with similar reported structures.

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“…[63,64] The frontier orbital theory plays a significant role in the understanding of the charge transfer mechanisms of SERS. [65,66] Two types of charge transfer mechanisms are predicted. One is molecule to metal and the other is metal to molecule.…”

Section: Sers Spectrummentioning

confidence: 99%

FT‐IR, FT‐Raman and SERS spectra of anilinium sulfate

Anto

Varghese

et al. 2009

J Raman Spectroscopy

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The FT-IR and FT-Raman spectra of anilinium sulfate were recorded and analyzed. The surface-enhanced Raman scattering (SERS) was recorded from a silver electrode. The vibrational wavenumbers of the compound have been computed using the Hartree-Fock/6-31G * basis and compared with the experimental values. The molecule is adsorbed on the silver surface with the benzene ring in a tilted orientation. The presence of amino and sulfate group vibrations in the SERS spectrum reveal the interaction between amino and sulfate groups with the silver surface. The direction of the charge transfer contribution to SERS has been discussed from the frontier orbital theory.

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Ab initio, DFT vibrational calculations and SERRS study of Rhodamine 123 adsorbed on colloidal silver particles

Cited by 44 publications

References 31 publications

Gold Nanoparticle-Based Detection of Hg(II) in an Aqueous Solution: Fluorescence Quenching and Surface-Enhanced Raman Scattering Study

Gold Nanoparticle-Based Detection of Hg(II) in an Aqueous Solution: Fluorescence Quenching and Surface-Enhanced Raman Scattering Study

Spectroscopic investigations and computational study of sulfur trioxide–pyridine complex

FT‐IR, FT‐Raman and SERS spectra of anilinium sulfate

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