• Title/Summary/Keyword: Two-dimensional spectroscopy

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Two-dimensional near-infrared correlation spectroscopy, principal component analysis and water structure

  • Sectnan, Vegard H.;Sasic, Slobodan;Isaksson, Tomas;Ozaki, Yukihiro
    • Proceedings of the Korean Society of Near Infrared Spectroscopy Conference
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    • 2001.06a
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    • pp.1287-1287
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    • 2001
  • The structure of water molecules in the pure liquid state has been subjected to extensive research for several decades. Questions still remain unanswered, however, and no single model has been found capable of explaining all the anomalies of water. In the present study near-infrared spectra of water in the temperature region 6-$80^{\circ}C$ have been analysed by use of principal component analysis (PCA) and two-dimensional correlation spectroscopy in order to study the dynamic behaviour of the water band centred at 1440 nm, which is due to the combination of symmetric and antisymmetric O-H stretching modes. It has been found that the wavelengths 1412 and 1491 nm account for more than 99% of the spectral variation, representing two major water species with weaker and stronger hydrogen bonds, respectively. A third species located at 1438 nm, whose concentration was relatively constant as a function of temperature, is also indicated. A somewhat distorted two-state structural model for water is suggested.

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Two-Dimensional Raman Correlation Spectroscopy Study of the Pathway for the Thermal Imidization of Poly(amic acid)

  • Han Yu, Keun-Ok;Yoo, Yang-Hyun;Rhee, John-Moon;Lee, Myong-Hoon;Yu, Soo-Chang
    • Bulletin of the Korean Chemical Society
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    • v.24 no.3
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    • pp.357-362
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    • 2003
  • The pathway producing imide ring closure during the thermal imidization of poly(amic acid) (PAA) was investigated in detail using a new analytical method, two-dimensional (2D) Raman correlation spectroscopy. The signs of the cross peaks in synchronous spectra provided evidence of the thermal imidization of PAA into PI as the heating temperature increased. The signs of the cross peaks in asynchronous spectra suggested that the imide-related modes changed prior to the amide or carboxylic mode, which indicates that cyclization occurred before the amide proton was abstracted.

Raman Spectroscopic Studies on Two-Dimensional Materials

  • Lee, Jae-Ung;Kim, Minjung;Cheong, Hyeonsik
    • Applied Microscopy
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    • v.45 no.3
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    • pp.126-130
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    • 2015
  • Raman spectroscopy is one of the most widely used tools in the field of graphene and two-dimensional (2D) materials. It is used not only to characterize structural properties such as the number of layers, defect densities, strain, etc., but also to probe the electronic band structure and other electrical properties. As the field of 2D materials expanded beyond graphene to include new classes of layered materials including transition metal dichalcogenides such as $MoS_2$, new physical phenomena such as anomalous resonance behaviors are observed. In this review, recent results from Raman spectroscopic studies on 2D materials are summarized.

Generalized Two-dimensional (2D) Correlation Spectroscopy: Principle and Its Applications (일반화된 이차원 상관 분광학: 원리 및 응용)

  • Young Mee Jung;Seung Bin Kim
    • Journal of the Korean Chemical Society
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    • v.47 no.5
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    • pp.447-459
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    • 2003
  • Generalized 2D correlation spectroscopy has been applied extensively to the analysis of spectral data sets obtained during the observation of a system under some external perturbation. It is used in various fields of spectroscopy including IR, Raman, UV, fluorescence, X-ray diffraction, and X-ray absorption spectroscopy (XAS) as well as chromatography. 2D hetero-spectral correlation analysis compares two completely different types of spectra obtained for a system under the same perturbation. Because of the wide range of applications of this technique, it has become one of the standard analytical techniques for the analytical chemistry, physical chemistry, biochemistry, and so on, and for studies of polymers, biomolecules, nanomaterials, etc. In this paper, we will introduce the principle of generalized 2D correlation spectroscopy and its applications that we have studied.

Two-Dimensional Correlation Analysis of Sum-Frequency Vibrational Spectra of Langmuir Monolayers

  • Lee, Jonggwan;Sung, Woongmo;Kim, Doseok
    • Journal of the Optical Society of Korea
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    • v.18 no.5
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    • pp.558-563
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    • 2014
  • Sum-frequency generation spectra of a Langmuir monolayer on water surface at varying surface areas were studied with two-dimensional correlation analysis. Upon enlarging the area/molecule of the Langmuir monolayer, the sum-frequency spectra changed reflecting the conformation change of the alkyl chains of the molecules in the monolayer. These changes stood out more clearly by employing two-dimensional correlation analysis of the above sum-frequency spectra. Features not very pronounced in the original spectra such as closely-spaced spectral bands can also be easily distinguished in the two-dimensional correlation spectra.

Experimental Determinations of Coherent Multidimensional Vibrational Spectroscopy

  • Besemann, Daniel;Condon, Nicholas;Meyer, Kent;Zhao, Wei;Wright, John C.
    • Bulletin of the Korean Chemical Society
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    • v.24 no.8
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    • pp.1119-1125
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    • 2003
  • Coherent multidimensional vibrational spectroscopy is a new technique for establishing correlations between features in vibrational spectra that are caused by intra- and intermolecular interactions. These interactions cause cross-peaks between vibrational transitions that reflect the coupling. In this paper, we use Doubly Vibrationally Enhanced Infrared Spectroscopy (DOVE-IR) and DOVE-Raman processes to obtain coherent two dimensional vibrational spectra. The spectra are fitted to obtain the dephasing rates and third order susceptibilities $(χ^{(3)})$ for the nonlinear processes. We show that the DOVE $χ^{(3)}$ values are directly related to the molar absorptivities and Raman $χ^{(3)}$. We then use these relationships to obtain estimates for the $χ^{(3)}$ of the stimulated photon echo and $χ^{(5)}$ of the six wave mixing spectroscopies, respectively. We also predict the ratio of the cascaded four wave mixing signal to the six wave mixing signal.

27Al Solid-state NMR Structural Studies of Hydrotalcite Compounds Calcined at Different Temperatures

  • Park, Tae-Joon;Choi, Sung-Sub;Kim, Yong-Ae
    • Bulletin of the Korean Chemical Society
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    • v.30 no.1
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    • pp.149-152
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    • 2009
  • Hydrotalcites are anionic clays that are quite prevalent in nature and their importance is growing more and more because of their very wide range of potential applications and uses. Understanding the structural and compositional changes that occur on the molecular scale during the thermal decomposition of hydrotalcite compounds is essential for the basic prediction and comprehensive understanding of the behavior and technical application of these materials. In this study, several hydrotalcite compounds calcined at different temperatures for applications in a chlorine resistant textile were prepared and 27-Aluminm solid-state nuclear magnetic resonance (NMR) spectroscopy was used as a tool to study their local structure and behavior. The changes in the Al coordination of the hydrotalcite compounds were investigated with one dimensional (1D) solid-state magic angle spinning (MAS) NMR spectroscopy. The two broad resonances arising from the structurally different Al coordinations of these compounds were clearly resolved by two dimensional (2D) triple quantum magic angle spinning (3QMAS) NMR spectroscopy.

Solution Structure of the D/E Helix Linker of Skeletal Troponin-C: As Studied by Circular Dichroism and Two-Dimensional NMR Spectroscopy

  • 이원태;G. M. Anatharamaiah;Herbert C. Cheung;N. Rama Krishna
    • Bulletin of the Korean Chemical Society
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    • v.19 no.1
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    • pp.57-62
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    • 1998
  • We have synthesized a 17-residue peptide with the amino acid sequence RQMKEDAKGKSEEELAD corresponding to residues 84-100 of chicken skeletal troponin C. This stretch of the protein sequence is in the middle one-third of the 32-residue 9-turn α-helix that connects the two globular domains of the dumbell-shaped molecule and includes the D/E linker helix. We describe here the solution conformation of the helix linker as studied by circular dichroism (CD) and two-dimensional nuclear magnetic resonance (2-D NMR) spectroscopy. The NOE connectivities together with the vicinal $^3J_{N{\alpha}}$ coupling constants suggest that the peptide exists in a fast conformational equilibrium among several secondary structure: a nascent helix near the N-terminus, a helix, and a substational population of extended and random coil forms. In addition, two interresidue α-α NOEs are observed suggesting a bent structure with a bend that includes the single glycine in position 92. These results are consistent with the ideas that in neutral solution the D/E linker region of the central helix in troponin C can adopt a helical conformation and the central helix may have a segmental flexibility around Gly 92.