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相关概念视频

Hydrogen Bonds01:04

Hydrogen Bonds

A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Hydrogen Bonds00:26

Hydrogen Bonds

Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
Hydrogen Bonds Control the World!
Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared.
Valence Bond Theory02:45

Valence Bond Theory

Overview of Valence Bond Theory
Valence Bond Theory02:42

Valence Bond Theory

Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
Covalent Bonding and Lewis Structures02:46

Covalent Bonding and Lewis Structures

Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.
Intermolecular Forces03:13

Intermolecular Forces

Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen bonds, and dispersion...

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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
06:44

From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding

Published on: March 24, 2018

在一个分子容器内的素结合.

Hamdy S El-Sheshtawy1, Bassem S Bassil, Khaleel I Assaf

  • 1School of Engineering and Science, Jacobs University Bremen, Campus Ring 1, D 28759 Bremen, Germany.

Journal of the American Chemical Society
|November 10, 2012
PubMed
概括
此摘要是机器生成的。

库库尔比特[6]uril宏循环通过两个独特的素键结合二素. 一个涉及水,另一个与碳 π 系统的垂直相互作用,提供了对蛋白质 - 连接体相互作用的见解.

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科学领域:

  • 超分子化学 超分子化学
  • 化学晶体学 化学晶体学
  • 计算化学计算化学

背景情况:

  • 黄瓜[6]uril是一种合成的宏循环,以形成宿主-客人复合体而闻名.
  • 素结合是一种非共价相互作用,在分子识别和晶体工程中至关重要.
  • 了解不同化学环境中的素结合对于设计新材料和药物至关重要.

研究的目的:

  • 为了研究宿主-客人包容性复合物形成的黄素[6]uril和分子二 (Br2) 和二 (I2).
  • 阐明这些复合物的稳定所涉及的素结合相互作用的性质和几何.
  • 将这些相互作用与生物系统中观察到的相互作用进行比较,并探索它们的基础电子因素.

主要方法:

  • 使用X射线晶体学来确定包含复合物的精确结构.
  • 对现有的小分子晶体结构进行了统计分析.
  • 量子化学计算 (MP2/aug-cc-pVDZ-PP) 使用尿素作为模型系统进行.

主要成果:

  • 库库比特[6]uril 与 Br2 和 I2 形成包含复合体,而二原体采用倾斜的轴几何.
  • 两种不同的基键稳定了二基:一种与水的常规O·X键,另一种与碳基π系统的垂直O·X键.
  • 垂直的素键即使在非线性扭曲 (大约. 140° O···X-X 角度),类似于蛋白质 - 配体相互作用.

结论:

  • 这项研究证实了二素与甲中基基基基组的π-系统之间形成真正的垂直素键[6]uril.
  • 这些垂直相互作用与传统的素键具有竞争力,特别是与碳基组上的电子捐赠替代物.
  • 这些发现为合成和生物环境中的素结合提供了宝贵的见解,特别适用于蛋白质中的素结合体.