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関連する概念動画

Molecular Shapes01:18

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.Two regions of electron density in a diatomic...
Molecular Shape and Polarity03:37

Molecular Shape and Polarity

Dipole Moment of a Molecule
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
Fischer Projections02:18

Fischer Projections

Learning to draw Fischer projections of molecules and understanding their relevance plays a crucial role in the visual depiction of organic molecules. A Fischer projection is a two-dimensional projection on a planar surface to simplify the three-dimensional wedge–dash representation of molecules. This is especially helpful in the case of molecules with multiple chiral centers that can be difficult to draw. Here, all the bonds of interest are represented as horizontal or vertical lines. While...
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution00:52

¹H NMR of Conformationally Flexible Molecules: Temporal Resolution

At room temperature, the chair conformer of cyclohexane undergoes rapid ring flipping between two equivalent chair conformers at a rate of approximately 105 times per second. These two chair conformers are in equilibrium. The rapid ring flipping results in the interconversion of the axial proton to an equatorial proton and an equatorial to the axial proton. Such interconversions are too rapid and cannot be detected on the NMR timescale. Hence, the NMR spectrometer cannot distinguish between the...
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR01:15

¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR

The axial and equatorial protons in cyclohexane can be distinguished by performing a variable-temperature NMR experiment. In this process, except for one proton, the remaining eleven protons are replaced by deuterium. The deuterium substitution avoids the possible peak splitting caused by the spin-spin coupling between the adjacent protons. The remaining proton flips between the axial and equatorial positions.

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Updated: Jun 21, 2026

Flexural Rigidity Measurements of Biopolymers Using Gliding Assays
07:55

Flexural Rigidity Measurements of Biopolymers Using Gliding Assays

Published on: November 9, 2012

柔軟な分子における絶対的構成の決定:ケーススタディ

K M Specht1, J Nam, D M Ho

  • 1Department of Chemistry, Princeton University, Princeton, NJ 08544, USA.

Journal of the American Chemical Society
|September 13, 2001
PubMed
まとめ
この要約は機械生成です。

分子絶対構成を割り当てるのは,特に柔軟な分子の場合は困難です. 分子モデリング,NMR,X線結晶学の組み合わせは,これらの課題を強調し,光学回転分散 (ORD) が割り当てに最も効果的であることが証明されています.

さらに関連する動画

High Precision FRET at Single-molecule Level for Biomolecule Structure Determination
11:24

High Precision FRET at Single-molecule Level for Biomolecule Structure Determination

Published on: May 13, 2017

Time-Resolved Fluorescence Anisotropy from Single Molecules for Characterizing Local Flexibility in Biomolecules
10:23

Time-Resolved Fluorescence Anisotropy from Single Molecules for Characterizing Local Flexibility in Biomolecules

Published on: April 25, 2025

関連する実験動画

Last Updated: Jun 21, 2026

Flexural Rigidity Measurements of Biopolymers Using Gliding Assays
07:55

Flexural Rigidity Measurements of Biopolymers Using Gliding Assays

Published on: November 9, 2012

High Precision FRET at Single-molecule Level for Biomolecule Structure Determination
11:24

High Precision FRET at Single-molecule Level for Biomolecule Structure Determination

Published on: May 13, 2017

Time-Resolved Fluorescence Anisotropy from Single Molecules for Characterizing Local Flexibility in Biomolecules
10:23

Time-Resolved Fluorescence Anisotropy from Single Molecules for Characterizing Local Flexibility in Biomolecules

Published on: April 25, 2025

科学分野:

  • 有機化学 オーガニック・ケミストリー
  • ステレオ化学 ステレオ化学
  • コンピューティング・ケミストリー

背景:

  • 分子の絶対的構成を割り当てるのは,化学における絶え間ない課題である.
  • 形状的に柔軟なシステムは,経験豊富な研究者にとっても,ステレオ化学的決定に特別な困難をもたらす.

研究 の 目的:

  • ソリューションベースの方法のみを使用して絶対的な構成を割り当てることの困難さを説明します.
  • 分子構成を決定するために複数の技術を採用したケーススタディを提示します.
  • 複雑なシステムにおける絶対的構成割り当ての最も効果的な方法を特定する.

主な方法:

  • 分子モデリングと実験技術の組み合わせを用いた.
  • 採用されたソリューション 核磁共振 (NMR) スペクトロスコーピー.
  • 構造分析のためのX線結晶学が組み込まれています.
  • 計算され,実験的に測定された光学回転分散 (ORD) データ.

主要な成果:

  • コンフィギュレーションの代入のために,ソリューションステートメソッドにのみ頼るという限界を証明した.
  • X線結晶学により,構造に関する決定的な情報が得られた.
  • 計算されたORDデータと実験的なORDデータの比較は,絶対的構成を割り当てるための最も直接的な経路を提供しました.

結論:

  • 柔軟な分子における絶対的構成を決定するには,多技術的なアプローチが必要です.
  • 溶液NMRとX線結晶学は,価値あるものですが,この特定の作業には限界があります.
  • 光学回転分散 (ORD) 分析は,計算方法と組み合わせると,絶対的構成を割り当てるための堅牢なソリューションを提供します.