来自乙烯氨基和氨基的低能电子散射:一项比较研究
Nirali Bhavsar1,2, P C Vinodkumar3, Minaxi Vinodkumar2
1Government Science College, Varachha, Surat, Gujarat 395006, India.
The journal of physical chemistry. A
|August 8, 2024
概括
本研究使用理论来探索来自乙烯和胺的低能电子散射. 我们将它们的电子散射行为与甲基胺进行了比较,揭示了关键相互作用.
科学领域:
- * 理论化学和化学物理.
- * 原子和分子物理学.
- * 计算机化学.
背景情况:
- * 了解电子与分子相互作用对于等离子体物理学和大气化学等领域至关重要.
- * 对于小氨基的电子散射数据是有限的,阻碍了准确的建模.
- * 线性胺如乙胺和胺在各种化学过程中都很重要.
研究的目的:
- * 理论上研究乙烯胺和胺的低能电子散射截面.
- * 分析弹性,差异性,动量转移和电子激发横截面.
- * 为了比较甲基,乙基和胺之间的电子散射行为.
主要方法:
- * 使用R矩阵方法计算散射横截面.
- * 采用复杂散射潜力-电离贡献 (CSP-ic) 和二进制接触贝特 (BEB) 方法进行电离横截面.
- * 执行了电子能量低于20 eV的理论计算.
主要成果:
- * 计算了乙烯和胺的各种电子散射截面 (弹性,差异性,动量转移,电子激发).
- * 通过CSP-ic和BEB方法确定了电离体横截面.
- * 在甲基胺,乙基胺和胺中发现了电子散射模式的相似性和差异.
结论:
- * 这项研究提供了对电子胺相互作用的基本见解.
- *比较分析揭示了氨基的结构变化如何影响电子散射.
- * 发现有助于化学动力学和天体物理学等领域.
相关概念视频
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Amines undergo fragmentation through α cleavage, producing nitrogen-containing cations—iminium ions—and alkyl radicals. Mass spectra of aromatic and cyclic aliphatic amines exhibit...
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NMR Spectroscopy Of Amines
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In proton NMR spectroscopy, primary amines and secondary amines showcase their N–H protons as a broad signal in the chemical shift range between δ 0.5 and 5 ppm. The exact position in this range depends on several factors, including sample concentration, hydrogen bonding, and the type of solvent used. Since amine protons undergo fast proton exchange in solution, the protons are labile and therefore do not participate in any splitting with adjacent protons. Thus, the observed peak is...
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Structure of Amines
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The hybridized nitrogen atom in amines possesses a lone pair of electrons and is bound to three substituents with a bond angle of around 108°, which is less than the tetrahedral angle of 109.5°. However, the C–N–H bond angle is slightly larger at 112°, with a carbon–nitrogen bond length of 147 pm. This carbon–nitrogen bond length of of amines is longer than the carbon–oxygen bond of alcohols (143 pm) but shorter than alkanes’...
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Amines can be identified using mass spectroscopy based on their characteristic fragmentation patterns. The molecular ions of amines undergo fragmentation via ⍺-cleavage. The ⍺-cleavage of the carbon-carbon bonds in amines generates an alkyl radical and resonance-stabilized nitrogen-containing cation.
In amines, the number of nitrogen atoms affects the mass of the molecular ion, which is described by the nitrogen rule of mass spectrometry. This rule states that a compound containing...
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The basicity of aromatic amines is much weaker than that of aliphatic amines due to the involvement of the lone pair of electrons over the N atom in resonance with the aryl rings. Generally, the electron-donating ability of any substituents on the aryl ring of aromatic amines increases the basicity of the amine by increasing electron density, and hence the availability of lone pair on the nitrogen. On the other hand, electron-withdrawing functional groups on the aryl ring of amines decrease the...
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Amines with low molecular weight are usually gaseous at room temperature, while those with high molecular weight are liquid or solids in nature. Usually, low molecular weight amines have a rotten fish-like smell. Diamines typically have a pungent smell. For instance, cadaverine and putrescine, depicted in Figure 1, are two molecules responsible for decaying tissue.
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