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関連する概念動画

UV–Vis Spectroscopy: Woodward–Fieser Rules01:29

UV–Vis Spectroscopy: Woodward–Fieser Rules

24.2K
UV–Visible absorption spectra of conjugated dienes arise from the lowest energy π → π* transitions. The light-absorbing part of the molecule is called the chromophore, and the substituents directly attached to the chromophore are called auxochromes. A strong correlation exists between the absorption maxima, λmax, and the structure of a conjugated π system. The Woodward–Fieser rules predict the value of λmax for a given...
24.2K
Molecular Spectroscopy: Absorption and Emission01:14

Molecular Spectroscopy: Absorption and Emission

2.3K
Molecules possess discrete energy levels called quantum states. Unlike atoms, which have simpler energy levels, molecules possess additional rotational and vibrational energy levels.  Each energy level is separated by an energy gap, with the gaps between adjacent electronic, vibrational, and rotational levels varying significantly. The three types of energy levels in a diatomic molecule are shown in Figure 1.
2.3K
UV–Vis Spectroscopy: Molecular Electronic Transitions01:16

UV–Vis Spectroscopy: Molecular Electronic Transitions

1.4K
In Ultraviolet–Visible (UV–Vis) spectroscopy, the absorption of electromagnetic radiation is used to probe the electronic structure of molecules. This technique provides insights into molecular electronic transitions, particularly the movement of electrons between different molecular orbitals. Radiation is absorbed if the energy of the electromagnetic radiation passing through the molecule is precisely equal to the energy difference between the excited and ground states. During this...
1.4K
UV–Vis Spectroscopy of Conjugated Systems01:32

UV–Vis Spectroscopy of Conjugated Systems

7.0K
Organic compounds with conjugated double bonds show strong absorption features in the UV–visible region of the electromagnetic spectrum attributed to π → π* electronic excitations. Generally, a UV–vis absorption spectrum is recorded as a plot of absorbance vs wavelength. The wavelength of maximum absorbance, which manifests as a peak in the absorption spectrum, is denoted as λmax.
One of the factors influencing λmax is the extent...
7.0K
Spectroscopy of Carboxylic Acid Derivatives01:26

Spectroscopy of Carboxylic Acid Derivatives

2.3K
Infrared spectroscopy is primarily used to determine the types of bonds and functional groups. In carboxylic acid derivatives, a typical carbonyl bond absorption is observed around 1650–1850 cm−1. For esters, the absorption is recorded at around 1740 cm−1, while acid halides show the absorption at about 1800 cm−1. Another acid derivative, the acid anhydrides, exhibit two carbonyl absorption around 1760 cm−1 and 1820 cm−1, arising from the symmetrical and...
2.3K
IR and UV–Vis Spectroscopy of Carboxylic Acids01:28

IR and UV–Vis Spectroscopy of Carboxylic Acids

4.0K
In IR spectroscopy of carboxylic acids, the C=O bond shows a characteristic band between 1710 and 1760 cm⁻¹, and the O–H bond exhibits a broad band between 2500 and 3300 cm⁻¹.
However, the stretching absorptions for the C=O bond vary depending on the structure of carboxylic acids. The C=O bond of the free carboxylic acids shows a higher stretching frequency, 1760 cm−1, while H-bonded carboxylic acids (dimers) exhibit stretching absorptions at a lower frequency,...
4.0K

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関連する実験動画

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Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
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Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy

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アスコルベットペロキシダース化合物IIにおけるスペクトロスコピーの相関構造

Mursaleem Ansari1, Sinjini Bhattacharjee1, Dimitrios A Pantazis1

  • 1Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr 45470, Germany.

Journal of the American Chemical Society
|March 26, 2024
PubMed
まとめ

アスコルベット過酸化酵素 (APX) 化合物IIのスペクトルスコピカルデータは,鉄 (IV) -オクソ形式ではなく,鉄 (IV) -ヒドロキソ形式を強く支持する. これは酵素の重要な中間物質に関する 矛盾する実験結果を解決します

科学分野:

  • 生物化学
  • コンピュータ化学
  • スペクトロスコーピー

背景:

  • アスコルバート過酸化剤 (APX) は植物防御に不可欠です.
  • APXの化合物IIは,主要な鉄 (IV) の中間物質を特徴としています.
  • 陽子化状態に関する構造的およびスペクトル学的データが矛盾しています.

研究 の 目的:

  • APX化合物IIにおける鉄 (IV) 中間物質の陽子化状態を解明する.
  • 結晶学とスペクトル学的発見の不一致を調和させるため.

主な方法:

  • 量子力学/分子力学 (QM/MM) の計算にスペクトロスコーピーを用いる.
  • 広範囲にわたる宇宙探査
  • クーレッド・クラスター計算 (DLPNO-CCSD) を検証する.
  • モースバウアー,XAS,NRVS,光学,X線放射スペクトロスコピーの分析

主要な成果:

  • オキソとヒドロキソ形態のFe-O距離は,異なる,重なり合わない範囲内にあります.
  • QM/MM計算では,すべてのスペクトル観測をアイアン ((IV) O形式に割り当てる.
  • 末端のヒドロキシ基は光学データと矛盾している.

さらに関連する動画

Author Spotlight: Non-Invasive Imaging of Complex Bio-Structures Using Polarization-Sensitive Two-Photon Microscopy
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Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions
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Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions

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関連する実験動画

Last Updated: Jun 29, 2025

Proton Transfer and Protein Conformation Dynamics in Photosensitive Proteins by Time-resolved Step-scan Fourier-transform Infrared Spectroscopy
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Author Spotlight: Non-Invasive Imaging of Complex Bio-Structures Using Polarization-Sensitive Two-Photon Microscopy
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Developing Photosensitizer-Cobaloxime Hybrids for Solar-Driven H2 Production in Aqueous Aerobic Conditions
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  • 結晶学的なFe-O距離は,ヒドロキソ種のみと一致する.
  • 結論:

    • APX化合物IIの鉄 (IV) 製剤は,光学データによって強く支持されています.
    • 不一致は,研究におけるサンプル準備に関する潜在的な問題を浮き彫りにしています.
    • 鉄 (IV) - 水素モデルは,光学的な証拠と相容れない.