Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)01:20

¹³C NMR: Distortionless Enhancement by Polarization Transfer (DEPT)

1.3K
When proton-coupled carbon-13 spectra are simplified by a broadband proton decoupling technique, structural information about the coupled protons is lost. Distortionless enhancement by polarization transfer (DEPT) is a technique that provides information on the number of hydrogens attached to each carbon in a molecule. While the DEPT experiment utilizes complex pulse sequences, the pulse delay and flip angle are specifically manipulated. The resulting signals have different phases depending on...
1.3K
¹³C NMR: ¹H–¹³C Decoupling01:04

¹³C NMR: ¹H–¹³C Decoupling

1.7K
The probability of having two carbon-13 atoms next to each other is negligible because of the low natural abundance of carbon-13. Consequently, peak splitting due to carbon-carbon spin-spin coupling is not observed in spectra. However, protons up to three sigma bonds away split the carbon signal according to the n+1 rule, resulting in complicated spectra.
A broadband decoupling technique is used to simplify these complex, sometimes overlapping, signals. Broadband decoupling relies on a...
1.7K
Double Resonance Techniques: Overview01:12

Double Resonance Techniques: Overview

870
Double resonance techniques in Nuclear Magnetic Resonance (NMR) spectroscopy involve the simultaneous application of two different frequencies or radiofrequency pulses to manipulate and observe two distinct nuclear spins. One important application of double resonance is spin decoupling, which selectively suppresses coupling with one type of nucleus while observing the NMR signal from another nucleus, simplifying the spectrum and enhancing resolution.
Spin decoupling is usually achieved by...
870

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Single-carbon insertion enables conversion of cyclopropenes into cyclobutenes: access to oxaspiro[2.3]hexenes.

Chemical science·2026
Same author

Adsorption and sensing performance of graphenylene nanosheet toward chlorofluorocarbons; a theoretical study.

RSC advances·2026
Same author

External electric field-induced remarkable enhancement of the hyperpolarizability in aza-12-crown-4-based alkaline earthide complexes.

RSC advances·2026
Same author

Exploring C<sub>6</sub>N<sub>6</sub> as an effective drug delivery carrier for anticancer drugs mercaptopurine and thiotepa: A DFT and MD approach.

Computational biology and chemistry·2026
Same author

Effect of the nature of cation of ionic liquid on the CO<sub>2</sub> conversion to cyclic carbonates-a theoretical study.

Scientific reports·2026
Same author

Transition metal-induced excess electron localization driving the giant first hyperpolarizability in alkaline earthides: a DFT and TD-DFT study.

RSC advances·2026

相关实验视频

Updated: May 3, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

18.1K

通过自组装带捕获CO2[14]皮里丁封装的离子液体复合物:DFT研究

Annum Ahsan1, Ahmed Lakhani2, Muhammad Umair Ashraf3

  • 1Department of Chemistry, COMSATS University Abbottabad Campus KPK 22060 Pakistan khurshid@cuiatd.edu.pk +92-992-383591.

RSC advances
|October 9, 2024
PubMed
概括

皮带[14]皮里丁中的封装离子液体 (ENIL) 对二氧化碳捕获具有强烈的范德瓦尔斯力. 甲六酸 (MPHP) 封装的ENILs由于有利的相互作用而表现出最佳的二氧化碳吸收性能.

更多相关视频

Electrophoretic Crystallization of Ultrathin High-performance Metal-organic Framework Membranes
07:45

Electrophoretic Crystallization of Ultrathin High-performance Metal-organic Framework Membranes

Published on: August 16, 2018

9.9K
Author Spotlight: Standardizing the Development of Amine-Based Silica Composites as CO2 Adsorbents for Direct Air Capture
08:00

Author Spotlight: Standardizing the Development of Amine-Based Silica Composites as CO2 Adsorbents for Direct Air Capture

Published on: September 29, 2023

2.3K

相关实验视频

Last Updated: May 3, 2026

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction
10:57

Synthesis and Performance Characterizations of Transition Metal Single Atom Catalyst for Electrochemical CO2 Reduction

Published on: April 10, 2018

18.1K
Electrophoretic Crystallization of Ultrathin High-performance Metal-organic Framework Membranes
07:45

Electrophoretic Crystallization of Ultrathin High-performance Metal-organic Framework Membranes

Published on: August 16, 2018

9.9K
Author Spotlight: Standardizing the Development of Amine-Based Silica Composites as CO2 Adsorbents for Direct Air Capture
08:00

Author Spotlight: Standardizing the Development of Amine-Based Silica Composites as CO2 Adsorbents for Direct Air Capture

Published on: September 29, 2023

2.3K

科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学的计算化学
  • 环境科学 环境科学

背景情况:

  • 开发高效的二氧化碳捕获技术对于缓解气候变化至关重要.
  • 离子液体 (IL) 和它们的封装形式 (ENIL) 是气体分离的有希望的材料.
  • 自组装的基于的结构为材料设计提供了独特的平台.

研究的目的:

  • 为了研究四甲基化 (TMACl),1,3-二甲基化 (MIMCl) 和化 (MPHP) 封装在皮带[14]pyridine (BP) 中的二氧化碳捕获能力.
  • 阐明控制二氧化碳吸附的相互作用机制,包括范德瓦尔斯力和电荷转移.
  • 评估这些ENIL系统的二氧化碳捕获的热力学可行性和性能.

主要方法:

  • 计算建模,包括分子中的原子量子理论 (QTAIM) 和非共价相互作用 (NCI) 分析.
  • 自然键轨道 (NBO) 分析和电子密度差异 (EDD) 分析,以研究电荷转移.
  • 边界分子轨道 (FMO) 分析以确定最高至最低 (H-L) 能量差距的变化.

主要成果:

  • 封装的离子液体表现出强大的范德瓦尔斯力和与二氧化碳捕获的皮里丁支架的协同效应.
  • 相互作用能量 (Eint) 范围为-12.54到-18.64 kcal mol-1,表明一种热力学上可行的二氧化碳捕获过程.
  • 在BP (BP-MPHP) 中封装的甲基基化 (MPHP) 显示了最高的相互作用能量和最低的H-L间隙,这意味着优越的CO2捕获性能.

结论:

  • 设计的皮带[14]以皮里丁为基础的ENIL系统是有效的二氧化碳捕获,由范德瓦尔斯力和电荷转移驱动.
  • 该BP-MPHP系统显示出作为高效的二氧化碳捕获应用的先进材料的巨大潜力.
  • 这些发现有助于开发用于碳捕获技术的新材料.