無限螺旋連鎖における電子の局所化と移位化に対するコンフォーマーションの効果 [X(CH3) 2]∞ (X = Si, Ge, Sn, Pb)
Milena Jovanovic1,2, Josef Michl1,2
1Department of Chemistry , University of Colorado , Boulder , Colorado 80309-0215 , United States.
Journal of the American Chemical Society
|July 16, 2019
まとめ
コンフォーメーションは,飽和ポリマーヘリクスの電子移転に大きく影響する. 脊柱二面角はシグマ結合とハイパー結合を制御し,効果的穴質に影響を与え,導電性を決定する.
科学分野:
- 材料科学
- コンピュータ化学
- ポリマー化学
背景:
- ポリマーの電子移位は,その電子特性にとって極めて重要です.
- 構造と性質の関係を理解することは,ポリマー科学の鍵です.
研究 の 目的:
- 飽和型正規ヘリクスの電子移位に形状がどのように影響するかを直感的に説明する.
- 効率的な穴の質量を用いて,鎖の長さに関連付けることで,移転の度合いを定量化します.
主な方法:
- 直感的な説明のためにLadder Cモデルを使用しました.
- 確認のために密度関数理論 (DFT) の計算を行いました.
- 穴の質量を 移転の指標として分析した
主要な成果:
- コンフォーメーション (背骨二面角) は電子の移位を決定する.
- 実際の穴の質量は 形状によってゼロから無限まで変化します
- シグマ結合とシグマハイパー結合の相互作用に基づく3つの移転レジームを特定した.
結論:
- この研究は,飽和ポリマーヘリクスの電子移位を理解するための明確なモデルを提供します.
- これらの材料の電子特性を調整する経路を提供します.
- 多循環型パイ電子システムとの類似は,電子移転の基本原理を強調する.
さらに関連する動画
08:50Fabrication and Characterization of a Conformal Skin-like Electronic System for Quantitative, Cutaneous Wound Management
Published on: September 2, 2015
9.5K
07:56Utilizing Time-Resolved Protein-Induced Fluorescence Enhancement to Identify Stable Local Conformations One α-Synuclein Monomer at a Time
Published on: May 30, 2021
3.6K
関連する概念動画
Electron Transport Chains
111.7K
The final stage of cellular respiration is oxidative phosphorylation that consists of two steps: the electron transport chain and chemiosmosis. The electron transport chain is a set of proteins found in the inner mitochondrial membrane in eukaryotic cells. Its primary function is to establish a proton gradient that can be used during chemiosmosis to produce ATP and generate electron carriers, such as NAD+ and FAD, that are used in glycolysis and the citric acid cycle.
The ETC is comprised of...
The ETC is comprised of...
111.7K
The Electron Transport Chain
19.8K
The electron transport chain or oxidative phosphorylation is an exothermic process in which free energy released during electron transfer reactions is coupled to ATP synthesis. This process is a significant source of energy in aerobic cells, and therefore inhibitors of the electron transport chain can be detrimental to the cell's metabolic processes.
Inhibitors of the electron transport chain
Rotenone, a widely used pesticide, prevents electron transfer from Fe-S cluster to ubiquinone or Q...
Inhibitors of the electron transport chain
Rotenone, a widely used pesticide, prevents electron transfer from Fe-S cluster to ubiquinone or Q...
19.8K
Conformity
47.9K
Conformity is the change in a person’s behavior to go along with the group, even if that person does not agree with the group.
47.9K
Electron Transport Chain: Complex I and II
18.5K
The mitochondrial electron transport chain (ETC) is the main energy generation system in the eukaryotic cells. However, mitochondria also produce cytotoxic reactive oxygen species (ROS) due to the large electron flow during oxidative phosphorylation. While Complex I is one of the primary sources of superoxide radicals, ROS production by Complex II is uncommon and may only be observed in cancer cells with mutated complexes.
ROS generation is regulated and maintained at moderate levels necessary...
ROS generation is regulated and maintained at moderate levels necessary...
18.5K
Electron Transport Chain Components
924
The electron transport chain (ETC) is a crucial metabolic pathway that facilitates energy conversion in prokaryotic and eukaryotic cells. In eukaryotes, the ETC comprises four membrane-associated protein complexes in the inner mitochondrial membrane. In prokaryotes, the ETC in the plasma membrane can vary in composition, with fewer or different complexes depending on the organism and environmental conditions. These complexes transfer electrons from electron donors, such as NADH and FADH2, to...
924
IR Absorption Frequency: Delocalization
1.3K
Electron delocalization refers to the distribution of electrons across multiple atoms within a molecule rather than being confined to a single atom or bond. This phenomenon is common in systems with conjugated bonds—structures where alternating single and double bonds allow π-electrons to move freely across the network. The movement of electrons stabilizes the molecule and can affect various chemical properties, including vibrational frequencies observed in IR spectroscopy.
In IR...
In IR...
1.3K
