Surface-enhanced Raman scattering of trans-1,2-bis (4-pyridyl)-ethylene on silver by theory calculations

Zhuang, Zhiping; Shi, Xiumin; Chen, Yufeng; Zuo, Minghui

doi:10.1016/j.saa.2011.05.017

Cited by 24 publications

(20 citation statements)

References 31 publications

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“…[7][8][9]39 These studies analyzed the BPE vibrational modes for an isolated molecule and also after its adsorption on Ag. In addition, the dependence of Raman spectra on the laser excitation wavelength was examined as well as the mechanism of the surface enhancement in Raman measurements.…”

Section: Discussionmentioning

confidence: 99%

“…Measurements of BPE adsorption on Ag nanoparticles are especially widely utilized in the development of ultra-high sensitive surface-enhanced Raman spectroscopic (SERS) techniques. [5][6][7] Interpretation of spectroscopic results and development of improved measurement techniques require a molecular-level understanding of BPE adsorption. Infrared (IR) and Raman spectra of BPE adsorbed on Ag surfaces were analyzed initially with Hartree-Fock and later with density functional theory (DFT) calculations.…”

Section: Introductionmentioning

confidence: 99%

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Identification of Vertical and Horizontal Configurations for BPE Adsorption on Silver Surfaces

et al. 2015

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Adsorption of trans-1,2-bis(4-pyridyl)ethylene (BPE), a molecule with two pyridine rings connected with a C=C double bond, was studied on Ag surfaces with surface-enhanced Raman spectroscopic (SERS) measurements and density functional theory (DFT) calculations. Spectroscopic measurements were collected using well-defined 48-nm monodispersed Ag and Au nanoparticles supported on SiO2. Effects of Ag oxidation were evaluated by varying the duration of an ozone treatment prior to adsorption. Effects of surface coverage were evaluated by exposing unoxidized and oxidized Ag samples to solutions with a variable BPE concentration. Periodic unit-cell DFT calculations were performed using Ag(111), p(4 × 4)-O/Ag(111) and Ag2O(111) surfaces. Two adsorption configurations were identified: vertical and horizontal. In the vertical configuration, BPE adsorbs nearly orthogonal to the surface by binding through one of its N atoms to a single surface Ag atom. In the horizontal configuration, BPE adsorbs nearly parallel to the surface by binding through both of its two N atoms to two separate surface Ag atoms. BPE adsorbs initially as a mixture of the vertical and horizontal configurations. As the BPE surface coverage increases, the vertical configuration becomes preferential due to geometric constraints. In contrast, the horizontal configuration becomes preferential with increasing extent of Ag oxidation due to its greater stability on oxidized surfaces. Similarities in spectroscopic results for metallic Ag and Au nanoparticles suggest that the BPE adsorption trends with increasing surface coverage are the same for both metals.

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Section: Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Identification of Vertical and Horizontal Configurations for BPE Adsorption on Silver Surfaces

et al. 2015

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“…(C ] -C) (1350 cm −1 ), and ](C-C) p , (C-H) (1631 cm −1 ) by Zhuang et al [44]. These peaks cannot be observed in the absence of the SERS layer (Figure 3(b)).…”

Section: Resultsmentioning

confidence: 85%

TLC‐SERS Plates with a Built‐In SERS Layer Consisting of Cap‐Shaped Noble Metal Nanoparticles Intended for Environmental Monitoring and Food Safety Assurance

Saito

Kato

Vieker

et al. 2015

Journal of Nanomaterials

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We report on a thin layer chromatograph (TLC) with a built-in surface enhanced Raman scattering (SERS) layer for in-situ identification of chemical species separated by TLC. Our goal is to monitor mixture samples or diluted target molecules suspended in a host material, as happens often in environmental monitoring or detection of food additives. We demonstrate that the TLC-SERS can separate mixture samples and provide in-situ SERS spectra. One sample investigated was a mixture consisting of equal portions of Raman-active chemical species, rhodamine 6 G (R6G), crystal violet (CV), and 1,2-di(4-pyridyl)ethylene (BPE). The three components could be separated and their SERS spectra were obtained from different locations. Another sample was skim milk with a trace amount of melamine. Without development, no characteristic peaks were observed, but after development, a peak was observed at 694 cm −1 . Unlike previous TLC-SERS whereby noble metal nanoparticles are added after development of a sample, having a built-in SERS layer greatly facilitates analysis as well as maintaining high uniformity of noble metal nanoparticles.

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“…This band appears very weak in Zhang's silver foil spectrum at 1064 nm excitation. 41 Therefore, adding weight to the argument that these HGNs are NIR active and effective candidates for use with a 1064 nm laser excitation.…”

Section: Discussionmentioning

confidence: 99%

“…33,35,40 (b) Raman shifts (cm À1 ) and peak assignments for BPE (solid), HGN + BPE + KCl (SERS-HGN) and Zhuang's silver foil + BPE (SERS-Ag). 34,37,41 (c) Raman shifts (cm À1 ) and peak assignments for MPY (solid), HGN + MPY + KCl (SERS-HGN) and Hu's silver foil + MPY (SERS-Ag) 31 to 1006 and 1096 cm À1 in the SERS spectrum respectively. 31,38 The peak shifts and intensity changes predominately involve ring breathing modes and C-S stretches therefore it is assumed that the MPY molecule will bind to the HGN surface via the sulfur atom.…”

Section: Sers Of Hollow Gold Nanotags With a Laser Excitation Of 1064 Nmmentioning

confidence: 99%

1064 nm SERS of NIR active hollow gold nanotags

Kearns

Shand

Smith

et al. 2015

Phys. Chem. Chem. Phys.

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Surface enhanced Raman scattering (SERS) tags are in situ probes that can provide sensitive and selective probes for optical analysis in biological materials. Engineering tags for use in the near infrared (NIR) region is of particular interest since there is an uncongested spectral window for optical analysis due to the low background absorption and scattering from many molecules. An improved synthesis has resulted in the formation of hollow gold nanoshells (HGNs) with a localised surface plasmon resonance (LSPR) between 800 and 900 nm which provide effective SERS when excited at 1064 nm. Seven Raman reporters containing aromatic amine or thiol attachment groups were investigated. All were effective but 1,2-bis(4-pyridyl)ethylene (BPE) and 4,4-azopyridine (AZPY) provided the largest enhancement. At approximately monolayer coverage, these two reporters appear to pack with the main axis of the molecule perpendicular or nearly perpendicular to the surface giving strong SERS and thus providing effective 1064 nm gold SERS nanotags.

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Surface-enhanced Raman scattering of trans-1,2-bis (4-pyridyl)-ethylene on silver by theory calculations

Cited by 24 publications

References 31 publications

Identification of Vertical and Horizontal Configurations for BPE Adsorption on Silver Surfaces

Identification of Vertical and Horizontal Configurations for BPE Adsorption on Silver Surfaces

TLC‐SERS Plates with a Built‐In SERS Layer Consisting of Cap‐Shaped Noble Metal Nanoparticles Intended for Environmental Monitoring and Food Safety Assurance

1064 nm SERS of NIR active hollow gold nanotags

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