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Atomic Structure01:33

Atomic Structure

All matter is composed of atoms, the smallest individual units of elements. Each atom is made up of three subatomic particles: protons, neutrons, and electrons. Together, these three particles account for the mass and the charge of an atom.The History of Atomic TheoryThe first person to propose that everything on Earth is made up of tiny particles was the Greek philosopher Democritus, around 450 B.C. He used the term atomos, Greek for “indivisible,” from which the modern term “atom” is derived.
Atomic Radii and Effective Nuclear Charge03:08

Atomic Radii and Effective Nuclear Charge

The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
Splitting diagrams or splitting tree diagrams are routinely used to depict such complex couplings. While drawing splitting diagrams, the splitting with the larger coupling constant is usually applied first.
Atomic Structure01:17

Atomic Structure

The Greek philosopher Democritus proposed that everything on Earth is made up of tiny particles called atomos, Greek for "indivisible," from which the modern term "atom" is derived. In the 19th century, John Dalton proposed the atomic theory that is still largely correct today. He put forth five postulates to explain how atoms made up the world around us. (1) All matter is composed of infinitely small particles or atoms. (2) All atoms of a given element are identical to one another and (3) are...
Atomic Absorption Spectroscopy: Atomization Methods01:25

Atomic Absorption Spectroscopy: Atomization Methods

Atomic Absorption Spectroscopy (AAS) atomizes samples through flame atomization or electrothermal atomization. Flame atomization typically involves a nebulizer and spray chamber assembly to combine the sample with a fuel–oxidant mixture, creating a fine aerosol mist that enters a burner. Typically, the fuel and oxidant are combined in an approximately stoichiometric ratio. However, for atoms that are easily oxidized, a fuel-rich mixture may be more advantageous. Only about 5% of the aerosol...
Atomic Absorption Spectroscopy: Interference01:25

Atomic Absorption Spectroscopy: Interference

Interference leads to systematic error in atomic absorption (AA) measurements by enhancing or diminishing the analytical signal or the background. These interferences can be grouped into three main categories: spectral interference, chemical interference, and physical interference.
Spectral interference occurs when signals from other elements or molecules overlap with the analyte signal, falsely elevating or masking the analyte's absorbance. This interference can be corrected using Zeeman,...

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関連する実験動画

Updated: Jul 16, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

ハロゲン原子-ベンゼン複合体の計算研究

Meng-Lin Tsao1, Christopher M Hadad, Matthew S Platz

  • 1Department of Chemistry, The Ohio State University, 100 West 18th Avenue, Columbus, OH 43210, USA.

Journal of the American Chemical Society
|July 3, 2003
PubMed
まとめ

計算方法により,ハロゲン原子-ベンゼン複合体を明らかにします. フッ素はシグマ複合体を形成し,塩素,ブロミン,ヨウ素はエタ (pi) 構造を好み,化学結合の洞察を提供している.

科学分野:

  • 化学物理 化学物理
  • コンピューティング・ケミストリー

背景:

  • 原子と芳香系間の非共性相互作用を理解することは,化学において極めて重要です.
  • ハロゲン結合とパイシステム相互作用は,分子認識と反応機構の基本です.

研究 の 目的:

  • ハロゲン原子-ベンゼン複合体の構造的好みを調査する.
  • スペクトル学的性質を予測し,実験データと比較する.

主な方法:

  • 密度関数理論 (DFT) による計算.
  • アブ・イニシオ 計算方法.
  • ゼロポイントエネルギー (ZPE) の補正が適用されました.

主要な成果:

  • フッ素原子-ベンゼン複合体は,強いC-F結合によりシグマ複合体の構造を採用すると予測されています.
  • 塩素,ブロミン,ヨウ素原子-ベンゼン複合体は,エタ (pi) 複合体の構造を好むと予測されています.
  • 計算による予測は,利用可能な実験スペクトロスコピクデータと良好な一致を示しています.

結論:

  • この研究は,ベンゼンと異なるハロゲン原子の異なる結合モードを明らかにしています.

さらに関連する動画

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
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Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

関連する実験動画

Last Updated: Jul 16, 2026

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy
14:55

Atomic Scale Structural Studies of Macromolecular Assemblies by Solid-state Nuclear Magnetic Resonance Spectroscopy

Published on: September 17, 2017

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry
16:11

Thermochemical Studies of Ni(II) and Zn(II) Ternary Complexes Using Ion Mobility-Mass Spectrometry

Published on: June 8, 2022

  • 計算化学は,これらの複合体の構造と性質の正確な予測を提供します.
  • この発見は,化学システムにおけるハロゲン相互作用の理解に寄与する.