Zr(NEt₂)₄ | 13801-49-5

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机锆
• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Zr(NEt₂)₄
• 英文别名: diethylazanide;zirconium(4+)
• CAS: 13801-49-5
• 化学式: 4C₄H₁₀N*Zr
• 分子量: 379.744
• InChiKey: MYWGJIOZFWNECW-UHFFFAOYSA-N

物化性质

• 沸点：
  128 °C/0.05 mmHg (lit.)
• 密度：
  1.026 g/mL at 25 °C (lit.)
• 闪点：
  54 °F

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险等级：
  4.3
• 危险品标志：
  F,Xi
• 安全说明：
  S16,S26,S36
• 危险类别码：
  R14,R36/37/38,R11
• WGK Germany：
  3
• 危险品运输编号：
  UN 3398
• 海关编码：
  2924199090
• 包装等级：
  II
• 危险类别：
  4.3

制备方法与用途

用途

四(乙氨基)锆是一种无色透明液体，其薄膜在逻辑器件、纳米涂层领域均有应用。

反应信息

• 作为反应物：
  描述：

  Zr(NEt₂)₄ 在 NH₃ 作用下， 以 neat (no solvent, gas phase) 为溶剂， 生成 zirconium nitride
  参考文献：
  名称：

  Fix, Renaud M.; Gordon, Roy G.; Hoffman, David M., Journal of the American Chemical Society, 1990, vol. 112, p. 7833 - 7835

  摘要：

  DOI：

文献信息

• Anisole−Diphenoxide Ligands and Their Zirconium Dichloride and Dialkyl Complexes
  作者：Tsukasa Matsuo、Hiroyuki Kawaguchi

  DOI：10.1021/ic7011167

  日期：2007.10.1

  anisol-diphenol H2[RO2O] (2,6-bis(3-tert-butyl-5-methyl-2-hydroxybenzyl)-4-R-anisole; R = Me (2a), tBu (2b)). Reaction of H2[RO2O] with 2 equiv of nBuLi gave the dilithiated derivatives Li2[RO2O]. The lithium salts were reacted with ZrCl4 in toluene/THF to obtain the dichloride complex [RO2O]ZrCl2(thf) (R = Me (3a), tBu (3b)). 3b underwent dimerization along with a loss of THF to generate [tBuO2O]ZrCl2}2

  发现线性三酚H3 [RO3]（2,6-双（3-叔丁基-5-甲基-2-羟基苄基）-4-R-苯酚; R = Me，tBu）经历选择性单去质子化和单-O-甲基化。用1当量的nBuLi对H3 [RO3]进行质子化导致形成Li H2 [RO3]}（Et2O）2（R = Me（1a），tBu（1b）），其中中心酚单元被锂化。在CH3CN中，在K2CO3存在下，用对甲苯磺酸甲酯处理H3 [RO3]，得到相应的苯甲酚-二酚H2 [RO2O]（2,6-双（3-叔丁基-5-甲基-2-羟基苄基）- 4-R-茴香醚； R ＝ Me（2a），tBu（2b））。H 2 [RO 2 O]与2当量的nBuLi反应，得到二锂化衍生物Li 2 [RO 2 O]。锂盐与ZrCl4在甲苯/ THF中反应，得到二氯化物络合物[RO2O] ZrCl2（thf）（R = Me（3a），tBu（3b））。3b随THF的损失而发生二聚，生成[tBuO2O]
• Organometallic compound, its synthesis method, and solution raw material and metal-containing thin film containing the same
  申请人：MITSUBISHI MATERIALS CORPORATION

  公开号：US20040210071A1

  公开（公告）日：2004-10-21

  The organometallic compound of the present invention is a compound that has bonds between metal atoms and nitrogen atoms or bonds between semimetal atoms and nitrogen atoms, and the content of chlorine in the compound is 200 ppm or less and the content of water is 30 ppm or less. In addition, the general formula of this compound is represented by the following formula (1): M [( R 1 ) 2 N ] (n−s) ( R 2 ) s (1) wherein, M represents a metal atom or semimetal atom, with the metal atom being Hf, Zr, Ta, Ti, Ce, Al, V, La, Nb or Ni, and the semimetal atom being Si, R 1 represents a methyl group or ethyl group, R 2 represents an ethyl group, n represents the valence of M, and s represents an integer of 0 to n−1.

  本发明的有机金属化合物是一种具有金属原子与氮原子之间的键或半金属原子与氮原子之间的键的化合物，该化合物中氯的含量为200 ppm或更低，水的含量为30 ppm或更低。此化合物的一般式由以下式（1）表示：M[(R1)2N](n−s)(R2)s(1)其中，M代表金属原子或半金属原子，金属原子为Hf、Zr、Ta、Ti、Ce、Al、V、La、Nb或Ni，半金属原子为Si，R1代表甲基基团或乙基基团，R2代表乙基基团，n代表M的化合价，s代表0到n-1之间的整数。
• [EN] CATALYST COMPOSITIONS CONTAINING TRANSITION METAL COMPLEXES WITH THIOLATE LIGANDS<br/>[FR] COMPOSITIONS CATALYTIQUES CONTENANT DES COMPLEXES DE MÉTAUX DE TRANSITION AVEC DES LIGANDS THIOLATE
  申请人：CHEVRON PHILLIPS CHEMICAL CO

  公开号：WO2012122349A1

  公开（公告）日：2012-09-13

  The present invention discloses catalyst compositions employing transition metal complexes with a thiolate ligand. Methods for making these transition metal complexes and for using such compounds in catalyst compositions for the polymerization of olefins also are provided.

  本发明揭示了使用含硫醇配体的过渡金属配合物的催化剂组合物。还提供了制备这些过渡金属配合物的方法，以及在烯烃聚合催化剂组合物中使用这些化合物的方法。
• Synthesis of BaZrS ₃ and BaHfS ₃ Chalcogenide Perovskite Films Using Single‐Phase Molecular Precursors at Moderate Temperatures
  作者：Apurva A. Pradhan、Madeleine C. Uible、Shubhanshu Agarwal、Jonathan W. Turnley、Shriya Khandelwal、Jonas M. Peterson、Daria D. Blach、Ryan N. Swope、Libai Huang、Suzanne C. Bart、Rakesh Agrawal

  DOI：10.1002/anie.202301049

  日期：2023.4.3

  of BaZrS3 and BaHfS3 at temperatures of 575 °C with sulfurization times as short as 20 min. To create molecular precursor inks, we utilized known carbon disulfide insertion chemistry to synthesize Group 4 metal dithiocarbamates and extended this chemistry to create species such as barium dithiocarboxylates, that have not been reported before.

  我们开发了一种单相溶液处理方法，可在 575 °C 的温度下以短至 20 分钟的硫化时间生成 BaZrS 3和 BaHfS 3薄膜。为了制造分子前体油墨，我们利用已知的二硫化碳插入化学来合成第 4 族金属二硫代氨基甲酸盐，并扩展这种化学以创造以前没有报道过的物质，例如二硫代羧酸钡。
• Preparation of all N-coordinated zirconium amide amidinates and studies of their reactions with dioxygen and water
  作者：Adam C. Lamb、Zheng Wang、Tabitha M. Cook、Bhavna Sharma、Shu-Jian Chen、Zheng Lu、Carlos A. Steren、Zhenyang Lin、Zi-Ling Xue

  DOI：10.1016/j.poly.2015.07.045

  日期：2016.1

  Zr(NR2)(2)[MeC((NPr)-Pr-i)(2)](2) (R = Me, 1; Et, 2) have been prepared through aminolysis and their reactions with O-2 and water have been studied. Two major products from the reactions are the oxo dimer (mu-O)Zr[MeC((NPr)-Pr-i)(2)](2))(2) (3) and its insoluble polymer (mu-O)Zr[MeC((NPr)-Pr-i)(2)](2)}(n) (4). Over time the dimer 3 polymerizes to 4. Zr peroxo trimer (mu-eta(2):eta(2)-O-2)Zr[MeC((NPr)-Pr-i)(2)](2)}(3) (5) was also observed from the reaction of 1 with O-2 and its crystal structure is reported. DFT calculations show that the reaction of 1 with O-2 follows a radical process, yielding the peroxo trimer 5. Mass spectrometric studies of the reactions of water in air with 1 and 2 show the formation of the oxo monomer (O=)Zr[MeC((NPr)-Pr-i)(2)](2) (6), oxo dimer (mu-O)Zr[MeC((NPr)-Pr-i)(2)](2)}(2).(3), and the dihydroxy monomer (HO)(2)Zr[MeC((NPr)-Pr-i)(2)](2) (7). In addition, the cations (Zr(NR2)[MeC((NPr)-Pr-i)(2)](2)}(+) (R = Me, Et) Were observed. 2 revealed an interesting dynamic NMR behavior. Variable-temperature (VT) NMR spectroscopy has been used to study the Bailar twist process in 2, giving activation parameters Delta H-double dagger = 10.9(1.1) kcal mol(-1), Delta S-double dagger = -11(4) eu and Delta G(303 kappa)(double dagger) = 14(2) kcal mol(-1). (C) 2015 Elsevier Ltd. All rights reserved.