1,2-bis[bis(2-isopropylphenyl)phosphino]benzene | 426267-79-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-bis[bis(2-isopropylphenyl)phosphino]benzene
• 英文别名: [2-Bis(2-propan-2-ylphenyl)phosphanylphenyl]-bis(2-propan-2-ylphenyl)phosphane
• CAS: 426267-79-0
• 化学式: C₄₂H₄₈P₂
• 分子量: 614.791
• InChiKey: BGRCNIFQOHAMQG-UHFFFAOYSA-N

物化性质

• 沸点：
  660.6±55.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  11.8
• 重原子数：
  44
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2-bis[bis(2-isopropylphenyl)phosphino]benzene 以 二氯甲烷 、 水 为溶剂， 反应 30.0h， 生成 [μ-(1,2-bis[bis(2-isopropylphenyl)phosphino]benzene)(AuBr)₂]
  参考文献：
  名称：

  具有桥联二膦配体的双核金（I）配合物的光致发光特性和分子结构：3XMMCT / 3MC的近统一磷光

  摘要：

  金（我）配合物[μ-L的iPr（AUX）2 ] {X =氯（1D），溴（2D），和I（3D）; 合成了L iPr = 1,2-双[双（双（2-异丙基苯基）膦基]苯}，以研究包含弱Au（I）-Au​​（I）键的双核Au配合物的光致发光特性。四氢呋喃（THF）加合物1DOR，2DOR和3DOR的单晶是通过从THF和n的混合溶液中1D，2D和3D重结晶获得的正己烷。这些加合物的THF得到橙色发光，具有峰值波长范围从597至630纳米，在293 K.重结晶结晶状态3D由丙酮和的混合溶液Ñ丙酮加合物的己烷，得到单晶3DGR，其表现出蓝色-在293 K处发出绿色光。从1D和2D中未获得丙酮加合物的晶体。在77-293 K的温度范围内测得的1DOR，2DOR，3DOR和3DGR的发射光谱和寿命表明，这些配合物在固态下的发射归因于磷光。值得注意的是，尽管3D在3DOR晶体是近类似的3DGR，的磷光光谱中3

  DOI：

  10.1039/d0dt03144e
• 作为产物：
  描述：

  1-溴-2-异丙基苯 、 1,2-双(二氯膦酰)苯 在 magnesium 作用下， 以 四氢呋喃 为溶剂， 以12%的产率得到1,2-bis[bis(2-isopropylphenyl)phosphino]benzene
  参考文献：
  名称：

  Photoluminescence Properties, Molecular Structures, and Theoretical Study of Heteroleptic Silver(I) Complexes Containing Diphosphine Ligands

  摘要：

  The homoleptic complex [Ag(L)(2)]PF6 (1) and heteroleptic complexes [Ag(L)(L-Me)]BF4 (2) and [Ag(L)(L-Et)]BF4 (3) [L = 1,2-bis(diphenylphosphino)benzene, L-Me = 1,2-bis[bis(2-methylphenyl)phosphino]benzene, and L-Et = 1,2-bis[bis(2-ethylphenyl)phosphino]benzene] were synthesized and characterized. X-ray crystallography demonstrated that 1-3 possess tetrahedral structures. Photophysical studies and time-dependent density functional theory calculations of 1-3 revealed that alkyl substituents at the ortho positions of peripheral phenyl groups in the diphosphine ligands have a significant influence on the energy and intensity of phosphorescence of the complex in solution at room temperature. The results can be interpreted in terms of the geometric preferences of each complex in the ground and excited states. The homoleptic complex 1 exhibits weak orange phosphorescence in solution arising from its flat structure in the triplet state, while heteroleptic complexes 2 and 3 show strong green phosphorescence from triplet states with tetrahedral structure. Larger interligand steric interactions in 2 and 3 caused by their bulkier ligands probably inhibit geometric relaxation within the excited-state lifetimes, leading to higher energy phosphorescence than that observed for 1. NMR experiments revealed that 2 and 3 in solution possess structures that are much more immobilized than that of 1; fluxional motion is completely suppressed in 2 and 3. Accordingly, conformational changes of 2 and 3 are expected to be suppressed by the alkyl substituents not only in the ground state but also in excited states. Consequently, nonradiative decay of the excited states of 2 and 3 occurs less efficiently than in 1. As a result, the quantum yields of phosphorescence for 2 and 3 are 6 times larger than that for the homoleptic complex 1.

  DOI：

  10.1021/ic300333c

文献信息

• METAL COMPLEX HAVING AROMATIC RING LIGAND CONTAINING NITROGEN ATOM
  申请人：Kuramochi Yusuke

  公开号：US20120041203A1

  公开（公告）日：2012-02-16

  A metal complex containing a nitrogen-containing aromatic ring ligand which has a dendritic molecular chain, and a copper(I) ion or a silver(I) ion. For example, the metal complex which is represented by compositional formula (8): (wherein M + is a copper(I) ion or a silver(I) ion, L is a ligand, and X is a counter ion; p is a positive number, and q and r are each independently numerical numbers of 0 or more; R represents a hydrogen atom, a halogen atom, a cyano group, a nitro group, a carboxyl group, an amino group, an acylamino group, a silyl group, a hydroxyl group, an acyl group, a hydrocarbyl group, a hydrocarbyloxy group, a hydrocarbylthio group, or a heterocyclic group, wherein the amino group, the silyl group, the hydrocarbyl group, the hydrocarbyloxy group and the hydrocarbylthio group optionally have a substituent) has excellent heat resistance.

  一种含有氮杂环配体的金属络合物，其具有树枝状分子链，以及铜(I)离子或银(I)离子。例如，由组成式(8)表示的金属络合物：（其中M+为铜(I)离子或银(I)离子，L为配体，X为反离子；p为正数，q和r分别为大于等于0的数字；R代表氢原子、卤原子、氰基、硝基、羧基、氨基、酰胺基、硅基、羟基、酰基、烃基、烃氧基、烃硫基或杂环基，其中氨基、硅基、烃基、烃氧基和烃硫基可选地具有取代基）具有优异的耐热性。
• Application of three-coordinate copper(<scp>i</scp>) complexes with halide ligands in organic light-emitting diodes that exhibit delayed fluorescence
  作者：Masahisa Osawa、Mikio Hoshino、Masashi Hashimoto、Isao Kawata、Satoshi Igawa、Masataka Yashima

  DOI：10.1039/c4dt02853h

  日期：——

  three-coordinate copper(I) complexes (LMe)CuX [X = Cl (1), Br (2), I (3)], (LEt)CuBr (4), and (LiPr)CuBr (5) [LMe = 1,2-bis[bis(2-methylphenyl)phosphino]benzene, LEt = 1,2-bis[bis(2-ethylphenyl)phosphino]benzene, and LiPr = 1,2-bis[bis(2-isopropylphenyl)phosphino]benzene] exhibit efficient blue-green emission in the solid state at ambient temperature with peak wavelengths between 473 and 517 nm. The emission

  一系列三配位铜（I）配合物（L Me）CuX [X = Cl（1），Br（2），I（3）]，（L Et）CuBr（4）和（L iPr）CuBr （5）[L Me＝ 1,2-双[双（2-甲基苯基）膦基]苯，L Et＝ 1,2-双[双（2-乙基苯基）膦基]苯，和L iPr＝ 1，2-双[双（双（2-异丙基苯基）膦基]苯]在环境温度下以473-517nm的峰值波长在固态下表现出有效的蓝绿色发射。发射量子产率为0.38–0.95。使用纳秒激光技术在77–295 K的温度范围内测量了发射寿命。使用具有两个激发态：单重态和三重态的模型来解释发射寿命的温度依赖性。两种状态之间的小能隙（<830 cm -1）表明从1-5发出的有效发射是热激活的延迟荧光（TADF）。邻位的烷基取代基发现外围苯基的位置对电子激发态几乎没有影响。因为配合物的发光的原点2，4，和5被认为是一个（σ+溴）→π*跃迁，这些络合物的光
• Photoluminescence properties of TADF-emitting three-coordinate silver(<scp>i</scp>) halide complexes with diphosphine ligands: a comparison study with copper(<scp>i</scp>) complexes
  作者：Masahisa Osawa、Masashi Hashimoto、Isao Kawata、Mikio Hoshino

  DOI：10.1039/c7dt02460f

  日期：——

  substituents than those of LMe, reacted with AgBr to give crystalline three-coordinate complexes (LEt)AgBr (2) and (LiPr)AgBr (3). Nuclear magnetic resonance (NMR) studies demonstrated that 1 dissociates in solution to yield a monomeric three-coordinate complex (LMe)AgBr. Luminescence studies showed that complexes 1–3 exhibit efficient blue thermally activated delayed fluorescence (TADF) in both solid

  描述了具有二膦配体L Me，L Et和L iPr的溴化银（I）配合物的合成和X射线结构，其中L Me = 1,2-双[双（双（2-甲基苯基）膦基]苯] L Et＝ 1,2-双[双（2-（乙基乙基苯基）膦基]苯，L iPr＝ 1,2-双[双（2-异丙基苯基）膦基]苯。由L Me和AgBr制备的复合物[（L Me）AgBr] 2（1）晶体显示出四面体双金属结构。L Et和L iPr，取代基比L Me更大，与AgBr反应生成结晶的三配位络合物（L Et）AgBr（2）和（L iPr）AgBr（3）。核磁共振（NMR）研究表明，1在溶液中解离生成单体三配位配合物（L Me）AgBr。发光研究表明，配合物1-3在固态和溶液中均显示出有效的蓝色热激活延迟荧光（TADF）。密度泛函理论（DFT）/时间相关（TD）-DFT计算表明，负责TADF的电子跃迁对应于（σ+ Br）→π*。银配合物1-3的光物理性质本文将详细讨论并将其与铜配合物（L
• Near-unity thermally activated delayed fluorescence efficiency in three- and four-coordinate Au(<scp>i</scp>) complexes with diphosphine ligands
  作者：Masahisa Osawa、Masa-aki Aino、Takaki Nagakura、Mikio Hoshino、Yuya Tanaka、Munetaka Akita

  DOI：10.1039/c8dt01097h

  日期：——

  mononuclear three-coordinate Au(I) complexes LMeAuCl (1) and LEtAuCl (2). On the other hand, the bulkiest ligand, LiPr, affords three-coordinate Au(I) complexes, LiPrAuCl (3) and LiPrAuI (4), but no dinuclear complexes. X-ray analysis suggests that both 3 and 4 possess a highly distorted trigonal planar geometry. Moreover, luminescence data reveal that at room temperature, 3 and 4 exhibit yellow-green thermally

  的合成和光致发光特性三坐标的Au（我）具有刚性二膦配合物配体L我1,2-双[双（2-甲基苯基）膦基]苯}，L的Et 1,2-双[双（2- -乙基苯基）膦基]苯}和L iPr 1,2-双[双（双（2-异丙基苯基）膦基]苯}}进行了研究。将L我和L的Et配位体得到两种类型的复合物：双核配合物[μ-L我（AUCL）2 ]（图1D）和[μ-L的Et（AUCL）2 ]（2D）用Au（我）-Au （I）键和单核三坐标Au（I）络合L Me AuCl（1）和L Et AuCl（2）。另一方面，最大的配体L iPr提供三配位Au（I）配合物L iPr AuCl（3）和L iPr AuI（4），但没有双核配合物。X射线分析表明3和4都具有高度变形的三角形平面几何形状。而且，发光数据表明在室温下3和4在晶体状态下显示出黄绿色热激活的延迟荧光，最大发射波长分别在558和549 nm。排放量接近统一。量子化学计算表明，4的发射源于（σ+
• OLIGOMERIZING CATALYST AND METHOD FOR PREPARING ETHYLENE OLIGOMER USING SAME
  申请人：SK Innovation Co., Ltd.

  公开号：EP3466988A1

  公开（公告）日：2019-04-10

  The present invention relates to an oligomerization catalyst comprising a transition metal or transition metal precursor, a halogen-substituted organic ligand, and a heteroatom ligand, and to a method for selectively preparing 1-hexene or 1-octene from ethylene using the catalyst.

  本发明涉及一种由过渡金属或过渡金属前体、卤素取代的有机配体和杂原子配体组成的低聚催化剂，以及使用该催化剂从乙烯中选择性制备 1-己烯或 1-辛烯的方法。