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

Radical Reactivity: Overview01:11

Radical Reactivity: Overview

2.0K
Radicals, the highly reactive species, gain stability by undergoing three different reactions. The first reaction involves a radical-radical coupling, in which a radical combines with another radical, forming a spin‐paired molecule. The second reaction is between a radical and a spin‐paired molecule, generating a new radical and a new spin‐paired molecule. The third reaction is radical decomposition in a unimolecular reaction, forming a new radical and a spin‐paired...
2.0K
Rate-Determining Steps03:08

Rate-Determining Steps

31.7K
Relating Reaction Mechanisms
In a multistep reaction mechanism, one of the elementary steps progresses significantly slower than the others. This slowest step is called the rate-limiting step (or rate-determining step). A reaction cannot proceed faster than its slowest step, and hence, the rate-determining step limits the overall reaction rate.
The concept of rate-determining step can be understood from the analogy of a 4-lane freeway with a short-stretch of traffic-bottleneck caused due to...
31.7K
Insensitive Nuclei Enhanced by Polarization Transfer (INEPT)01:15

Insensitive Nuclei Enhanced by Polarization Transfer (INEPT)

230
Insensitive Nuclei Enhanced by Polarization Transfer (INEPT) is an advanced Nuclear Magnetic Resonance (NMR) technique specifically designed to detect and enhance the signals of low-abundance nuclei, such as carbon-13 and nitrogen-15, in small molecules. The fundamental principle behind INEPT is the transfer of polarization from a more abundant and highly polarizable nucleus, typically hydrogen-1, to the low-abundance nucleus of interest. This process effectively boosts the NMR signal of the...
230
¹H NMR: Complex Splitting01:13

¹H NMR: Complex Splitting

1.2K
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...
1.2K
Nuclear Transmutation03:20

Nuclear Transmutation

17.4K
Nuclear transmutation is the conversion of one nuclide into another. It can occur by the radioactive decay of a nucleus, or the reaction of a nucleus with another particle. The first manmade nucleus was produced in Ernest Rutherford’s laboratory in 1919 by a transmutation reaction, the bombardment of one type of nuclei with other nuclei or with neutrons. Rutherford bombarded nitrogen-14 atoms with high-speed α particles from a natural radioactive isotope of radium and observed...
17.4K
Carboxylic Acids to Methylesters: Alkylation using Diazomethane01:33

Carboxylic Acids to Methylesters: Alkylation using Diazomethane

2.1K
Carboxylic acids react with diazomethane in an ether solvent via alkylation at the carboxylate oxygen atom to give methyl esters of the corresponding acid with excellent yields.
2.1K

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

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis.

Journal of chemical information and modeling·2025
Same author

Spectroscopic and Theoretical Studies of Ruthenium Complexes with a Noninnocent N<sub>2</sub>S<sub>2</sub> Ligand in Different Redox States.

Inorganic chemistry·2025
Same author

MLTB: Enhancing Transferability and Extensibility of Density Functional Tight-Binding Theory with Many-body Interaction Corrections.

Journal of chemical theory and computation·2025
Same author

Machine Learning Models for High Explosive Crystal Density and Performance.

Chemistry of materials : a publication of the American Chemical Society·2024
Same author

Transport Properties of Liquid Pentaerythritol Tetranitrate (PETN) from Molecular Dynamics Simulations.

The journal of physical chemistry. B·2024
Same author

Investigation of the Synthesis and Energetic Properties of an ANTA-Based Energetic Plasticizer.

The Journal of organic chemistry·2024

相关实验视频

Updated: Jun 3, 2025

Research and Development of High-performance Explosives
10:33

Research and Development of High-performance Explosives

Published on: February 20, 2016

17.5K

了解能量材料中的触发链路动力学,使用混合皮克拉米德酸以斯特爆炸物.

Nicholas Lease1, M J Cawkwell2, Kyle D Spielvogel1

  • 1High Explosives Science and Technology, Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States.

The journal of physical chemistry letters
|January 8, 2025
PubMed
概括
此摘要是机器生成的。

研究人员合成了新的尼特罗皮克拉米德能量材料. 理论计算显示,N-NO2键是处理灵敏性的关键,与爆炸物中的典型O-NO2键不同.

更多相关视频

Preparation and Reactivity of Gasless Nanostructured Energetic Materials
09:50

Preparation and Reactivity of Gasless Nanostructured Energetic Materials

Published on: April 2, 2015

10.2K
Laboratory Scale Slow Cook-Off Testing of Rocket Propellants: The Combustion Rate Analysis of a Slowly Heated Propellant CRASH-P Test
06:52

Laboratory Scale Slow Cook-Off Testing of Rocket Propellants: The Combustion Rate Analysis of a Slowly Heated Propellant CRASH-P Test

Published on: February 6, 2021

3.9K

相关实验视频

Last Updated: Jun 3, 2025

Research and Development of High-performance Explosives
10:33

Research and Development of High-performance Explosives

Published on: February 20, 2016

17.5K
Preparation and Reactivity of Gasless Nanostructured Energetic Materials
09:50

Preparation and Reactivity of Gasless Nanostructured Energetic Materials

Published on: April 2, 2015

10.2K
Laboratory Scale Slow Cook-Off Testing of Rocket Propellants: The Combustion Rate Analysis of a Slowly Heated Propellant CRASH-P Test
06:52

Laboratory Scale Slow Cook-Off Testing of Rocket Propellants: The Combustion Rate Analysis of a Slowly Heated Propellant CRASH-P Test

Published on: February 6, 2021

3.9K

科学领域:

  • 材料科学 材料科学 材料科学
  • 计算化学计算化学
  • 化学工程是化学工程的重要组成部分.

背景情况:

  • 预测有机能量材料的处理灵敏度对于安全至关重要.
  • 现有的爆炸物,如甘,红四酸盐 (ETN) 和五三酸盐 (PETN),具有明确的敏感性特征.
  • 开发新能源材料需要准确的方法来评估其安全性和性能.

研究的目的:

  • 为了合成和表征新型的皮克拉米德能量材料.
  • 以计算方式研究这些新化合物的处理灵敏度和爆炸热量.
  • 确定负责启动分解的特定化学键 (触发链接).

主要方法:

  • 合成和描述六种新的尼特罗皮克拉米德化合物.
  • 量子分子动力学 (QMD) 模拟用于模拟分子行为.
  • 密度函数理论 (DFT) 计算以确定键能和反应路径.
  • 理论预测与实验下降重量冲击灵敏度数据的比较.

主要成果:

  • 合成的基化物表现出混合的功能组,模仿已知的爆炸物.
  • 据QMD和DFT计算,尼特罗皮克拉米德N-NO2键被确定为主要的触发链,与常规炸药中的O-NO2键不同.
  • 计算的灵敏度与实验冲击灵敏度数据密切匹配,表明新化合物之间具有类似的处理特性.
  • 邻近的三二基组的取电子性质被认为是N-NO2键作为触发链接的原因.

结论:

  • 这项研究成功地合成和表征了新的尼特罗皮克拉米德能量材料.
  • 计算方法可以准确地预测这些材料的处理灵敏度.
  • 在尼特罗皮克拉米德中发现了一种新的触发链接机制 (N-NO2),为设计更安全的能量材料提供了洞察力.