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Properties of Organometallic Compounds01:23

Properties of Organometallic Compounds

958
Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
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Extraction: Advanced Methods00:56

Extraction: Advanced Methods

431
Metal ions can be separated from one another by complexation with organic ligands–the chelating agent– to form uncharged chelates. Here, the chelating agent must contain hydrophobic groups and behave as a weak acid, losing a proton to bind with the metal. Since most organic ligands used in this process are insoluble or undergo oxidation in the aqueous phase, the chelating agent is initially added to the organic phase and extracted into the aqueous phase. The metal-ligand complex is...
431
Complexometric Titration: Ligands00:43

Complexometric Titration: Ligands

921
Different monodentate and polydentate ligands are used as complexing agents in complexometric titration reactions. The formation of complexes by mono- and bidentate ligands involves two or more intermediate steps, limiting their use as complexing agents. In comparison, polydentate ligands can form complexes with metal ions in a single-step process, facilitating sharper end points. This means polydentate ligands, such as amino carboxylic acid derivatives, are most commonly employed in...
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Bonding in Metals02:32

Bonding in Metals

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Metallic bonds are formed between two metal atoms. A simplified model to describe metallic bonding has been developed by Paul Drüde called the “Electron Sea Model”. 
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Types of Chemical Bonds02:37

Types of Chemical Bonds

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Chemical bonding theories were pioneered by American chemist Gilbert N. Lewis. He developed a model called the Lewis model to explain the type and formation of different bonds. Chemical bonding is central to chemistry; it explains how atoms or ions bond together to form molecules. It explains why some bonds are strong and others are weak, or why one carbon bonds with two oxygens and not three; why water is H2O and not H4O. 
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Metal-Ligand Bonds02:51

Metal-Ligand Bonds

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The hemoglobin in the blood, the chlorophyll in green plants, vitamin B-12, and the catalyst used in the manufacture of polyethylene all contain coordination compounds. Ions of the metals, especially the transition metals, are likely to form complexes.
In these complexes, transition metals form coordinate covalent bonds, a kind of Lewis acid-base interaction in which both of the electrons in the bond are contributed by a donor (Lewis base) to an electron acceptor (Lewis acid). The Lewis acid in...
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整合数据挖掘和自然语言处理,构建有机金属化合物的点数据库.

Jinyoung Jeong1, Taehyun Park1, JunHo Song1

  • 1School of Mechanical Engineering, Soongsil University, 369 Sangdo-ro, Dongjak-gu, Seoul 06978, Republic of Korea.

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|October 1, 2024
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创建了一个新数据库,包含1845个有机金属化合物 (OMC) 点,以帮助设计原子层沉积 (ALD) 前体. 这个资源简化了数据收集,加速了半导体行业的进步.

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科学领域:

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

背景情况:

  • 半导体设备的小型化增加了对先进的原子层沉积 (ALD) 技术的需求.
  • 选择合适的ALD前体需要了解它们的点,点应低于工艺温度.
  • 关于有机金属化合物 (OMC) 点的现有数据是分散的,阻碍了高效的前体设计.

研究的目的:

  • 为有机金属化合物 (OMC) 的点构建一个全面和有组织的数据库.
  • 为了促进对半导体制造业有前途的ALD前体的选和选择.
  • 为了减少与手动数据收集和处理OMC属性的相关的时间和成本.

主要方法:

  • 编制了1845个OMC的数据库,包括58种金属和6种金属合金的数据.
  • 从 11 个化学品供应商数据库 (1,434 种材料) 通过自动提取提取点数据.
  • 利用自然语言处理 (NLP) 在2,096篇科学论文中,以86.3%的准确度识别了另外411种材料的点.

主要成果:

  • 该数据库包括多达250个原子的OMC,其点在-170至1610°C之间.
  • 铁 (Fe) 是最常见的中心元素 (15.0%),其次是 (Si) (11.6%) 和 (B) (6.7%).
  • 一个多式联络神经网络模型在预测OMC点方面表现适度,验证了数据库的实用性.

结论:

  • 开发的数据库大大减少了对OMC属性的手动数据收集工作.
  • 该资源为有效查ALD前体提供了关键信息.
  • 这些发现支持通过改进的前体选择来推动半导体技术的进步.