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A Classical Correlation Model of Resonance Raman Scattering and Surface Enhanced Infrared Absorption Spectroscopies.

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	A Classical Correlation Model of Resonance Raman Scattering and Surface Enhanced Infrared Absorption Spectroscopies./
作者:	Gao, Yuan.
出版者:	Ann Arbor : ProQuest Dissertations & Theses, : 2023,
面頁冊數:	253 p.
附註:	Source: Dissertations Abstracts International, Volume: 85-05, Section: B.
Contained By:	Dissertations Abstracts International85-05B.
標題:	Plasma. -
電子資源:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=30673702
ISBN:	9798380711562

A Classical Correlation Model of Resonance Raman Scattering and Surface Enhanced Infrared Absorption Spectroscopies.
Gao, Yuan.

A Classical Correlation Model of Resonance Raman Scattering and Surface Enhanced Infrared Absorption Spectroscopies. - Ann Arbor : ProQuest Dissertations & Theses, 2023 - 253 p.

Source: Dissertations Abstracts International, Volume: 85-05, Section: B.

Thesis (Ph.D.)--North Carolina State University, 2023.

Plasmonic properties of noble metals have led to a large field of investigation of the effects of plasmonic fields on molecular spectra. Molecular spectroscopic signals show enhancement near the interface of a conductor and insulator. This is most often observed when the molecule is chemically bonded to the conductor. Plasmonic enhancement has been applied to surface enhanced Raman spectroscopy (SERS), surface enhanced infrared absorption (SEIRA), and surface enhanced fluorescence (SEF) spectroscopies.The mechanism of the enhancement has not been fully understood. Although both electromagnetic mechanism and chemical mechanism have been suggested, the enhancement factor is usually estimated by the fourth power of the enhanced incident field, where molecular properties are ignored. The development of a comprehensive model remains a challenge.In Chapter 2, we started by demonstrating a classical correlation model (CCM) of resonance Raman spectroscopy. A spring-mass system is used to illustrate the molecule. The mass represents an electron, the wall represents the rest of the molecule. Spring represents the interaction between the electron and the molecule. By introducing an interaction term with the same frequency of the vibrational normal mode into the spring constant, the Raman excitation profile (REP) is obtained from the polarizability using methods developed previously for studies of second-harmonic generation. This theory provided the same mathematical form and matched the amplitude of the REP obtained from the quantum theory, which is derived from the KramersHeisenberg-Dirac equation. This work proved the feasibility of application of the CCM to elucidate electromagnetic enhancement and chemical enhancement in the surface enhanced spectroscopy.In Chapter 3, we turned attention to CCM on SEIRA. SEIRA results can be predicted by Maxwell's equations, which is the fundamental of electromagnetic enhancement. We generalize the interactions of plasmons with molecules by considering the N2O asymmetric stretch SEIRA signal on a Dy doped CdO (CdO:Dy) film. This semiconductor has tunable plasmon dispersion curves throughout the near-and mid-infrared that can interact directly with vibrational absorption transitions. We have demonstrated this using the Kretschmann configuration with a CaF2 prism and a MgO substrate. The model predicts the phase behavior of SEIRA. The calculated enhancement factor relative to an Au control is 6.2, in good agreement with the value of 6.8 ± 0.5 measured under the same conditions.In Chapter 4, we applied CCM to SERS with nanoparticle suspension. The SERS signal of various concentration of crystal violet (CV) adsorbed on a gold nanoparticle has a various radius is calculated. In the limit of a single layer, the calculated enhancement factor agrees with the experimental results for gold nanoparticles under 15 nm and CV concentration under 5 μM.In Chapter 5, we introduced a dielectric function for a Raman-active layer. This function aimed to facilitate the computation of SERS signals within a Kretschmann configuration, serving as a previous step towards modeling the enhancement factor of a planar conductor integrated with modified nanoparticles.We have shown the CCM is compatible with both planar and spherical geometries, with both quantum mechanics and classical electromagnetism. CCM has the potential to shed light on the mechanism of surface enhanced spectroscopies, and therefore as a guide to remove obstacles in this field.

ISBN: 9798380711562Subjects--Topical Terms:

877619
Plasma.

A Classical Correlation Model of Resonance Raman Scattering and Surface Enhanced Infrared Absorption Spectroscopies.
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520 $a Plasmonic properties of noble metals have led to a large field of investigation of the effects of plasmonic fields on molecular spectra. Molecular spectroscopic signals show enhancement near the interface of a conductor and insulator. This is most often observed when the molecule is chemically bonded to the conductor. Plasmonic enhancement has been applied to surface enhanced Raman spectroscopy (SERS), surface enhanced infrared absorption (SEIRA), and surface enhanced fluorescence (SEF) spectroscopies.The mechanism of the enhancement has not been fully understood. Although both electromagnetic mechanism and chemical mechanism have been suggested, the enhancement factor is usually estimated by the fourth power of the enhanced incident field, where molecular properties are ignored. The development of a comprehensive model remains a challenge.In Chapter 2, we started by demonstrating a classical correlation model (CCM) of resonance Raman spectroscopy. A spring-mass system is used to illustrate the molecule. The mass represents an electron, the wall represents the rest of the molecule. Spring represents the interaction between the electron and the molecule. By introducing an interaction term with the same frequency of the vibrational normal mode into the spring constant, the Raman excitation profile (REP) is obtained from the polarizability using methods developed previously for studies of second-harmonic generation. This theory provided the same mathematical form and matched the amplitude of the REP obtained from the quantum theory, which is derived from the KramersHeisenberg-Dirac equation. This work proved the feasibility of application of the CCM to elucidate electromagnetic enhancement and chemical enhancement in the surface enhanced spectroscopy.In Chapter 3, we turned attention to CCM on SEIRA. SEIRA results can be predicted by Maxwell's equations, which is the fundamental of electromagnetic enhancement. We generalize the interactions of plasmons with molecules by considering the N2O asymmetric stretch SEIRA signal on a Dy doped CdO (CdO:Dy) film. This semiconductor has tunable plasmon dispersion curves throughout the near-and mid-infrared that can interact directly with vibrational absorption transitions. We have demonstrated this using the Kretschmann configuration with a CaF2 prism and a MgO substrate. The model predicts the phase behavior of SEIRA. The calculated enhancement factor relative to an Au control is 6.2, in good agreement with the value of 6.8 ± 0.5 measured under the same conditions.In Chapter 4, we applied CCM to SERS with nanoparticle suspension. The SERS signal of various concentration of crystal violet (CV) adsorbed on a gold nanoparticle has a various radius is calculated. In the limit of a single layer, the calculated enhancement factor agrees with the experimental results for gold nanoparticles under 15 nm and CV concentration under 5 μM.In Chapter 5, we introduced a dielectric function for a Raman-active layer. This function aimed to facilitate the computation of SERS signals within a Kretschmann configuration, serving as a previous step towards modeling the enhancement factor of a planar conductor integrated with modified nanoparticles.We have shown the CCM is compatible with both planar and spherical geometries, with both quantum mechanics and classical electromagnetism. CCM has the potential to shed light on the mechanism of surface enhanced spectroscopies, and therefore as a guide to remove obstacles in this field.
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