W(η(2)-PhCCPh)Cl4 | 136001-88-2

• 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: W(η(2)-PhCCPh)Cl4
• 英文别名: W(η(2)-Ph2C2)Cl4；[W(η2-PhCCPh)Cl4]；W(η2-PhCCPh)Cl4；2-phenylethynylbenzene;tetrachlorotungsten
• CAS: 136001-88-2
• 化学式: C₁₄H₁₀Cl₄W
• 分子量: 503.895
• InChiKey: BLSQVNGFWIUIAO-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  6.37
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  W(η(2)-PhCCPh)Cl4 在 [NEt₄]Cl 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Theopold, Klaus H.; Holmes, Steven J.; Schrock, Richard R., Angewandte Chemie, 1983, vol. 95, p. 1012 - 1013

  摘要：

  DOI：
• 作为产物：
  描述：

  六氯化钨 、 二苯基乙炔 以 二氯甲烷 为溶剂， 生成 W(η(2)-PhCCPh)Cl4
  参考文献：
  名称：

  Theopold, Klaus H.; Holmes, Steven J.; Schrock, Richard R., Angewandte Chemie, 1983, vol. 95, p. 1012 - 1013

  摘要：

  DOI：

文献信息

• Supramolecular assemblies of tungsten complexes with unusual chelating groups
  作者：Timothy E. Baroni、Vladimir Kolesnichenko、Lawrence Seib、Joseph A. Heppert、Louise M. Liable-Sands、Glenn P.A. Yap、Arnold E. Rheingold

  DOI：10.1016/s0277-5387(97)00313-6

  日期：1998.3

  Metal complexes of ligands with η1-O coordinated carbonyl moieties are well-known throughout the inorganic literature. However, metal complexes containing authentic acid chloride ligands have not previously been isolated. The synthesis and characterization of compounds with the formula W(X)Cl3(OPh-2-COCl) (2) [X  O (2a), NC6H3-2,6-(CH3)2 (2b), and Ph2C2 (2c)] are reported. The crystal structures of 2a

  摘要在整个无机文献中，具有η1-O配位羰基的配体金属配合物是众所周知的。但是，以前没有分离出含有真正的酰氯配体的金属配合物。具有式W（X）Cl3（OPh-2-COCl）（2）[XO（2a），NC6H3-2,6-（CH3）2（2b）和Ph2C2（2c）的化合物的合成和表征）]报告。解析了2a和2c的晶体结构，显示了酰氯羰基部分与钨中心的相互作用。配合物2c采用在固态具有六倍对称空隙的通道结构。如所预期的，2a的配位酰氯容易与亲核试剂反应，生成酯WOCl3（OPh-2-COPrn）（3）和酰胺WOCl3（OPh-2-CONHBut）（4a）。相关的酰胺络合物WOCl3（OPh-2-CONH2）（4b），通过WOCl4与水杨酰胺的反应合成的α-烯烃显示出无限链结构，该结构由酰胺基团和相邻钨配合物的氧代配体之间的氢键支持。η1-O配位的硝基化合物W（X）Cl3（OPh-2-NO2）（5）[XO（5a），NC6H3-2
• Isomerization and α-H Elimination of Dialkyltungsten Complexes Stabilized by a Sulfur-Bridged Chelating Diaryloxo Ligand
  作者：Yuushou Nakayama、Hideo Saito、Norikazu Ueyama、Akira Nakamura

  DOI：10.1021/om9808965

  日期：1999.8.1

  dialkyltungsten complexes, W(η2-PhC⋮CPh)[S(4-Me-6-tBuC6H2O)2]R2 (R = Me (7), CH2Ph (8)), whose structures were determined by X-ray crystallography. The ring-opening metathesis polymerization (ROMP) of norbornene was initiated in the presence of these dialkyl complexes as catalyst precursors to give poly(norbornene) having high molecular weight (Mn = 1.7 × 106) and high cis content (cis 93%) at the early

  Dichlorotungsten络合物轴承的O-S-O螯合dialkoxo和二苯基乙炔配体，W（η 2 -RC⋮CR）[S（4-R'-6-R”“C 6 H ^ 2 O）2 ]氯2（R = Ph，R'= Me，R''= tBu（3a）; R = Et; R '= R' '=我（图3b）），通过的W（η反应制得2 -RC⋮CR）氯4和S（4-R'-6-R'“C 6 H ^ 2 OH）2。通过这些配合物的NMR研究和3b的X射线晶体学证实了它们的C s结构。复杂的图3a用Mg（CH反应2森达3）2在二乙醚中，得到一个最初ç小号对称dialkyltungsten复杂，W（η 2 -PhC⋮CPH）[S（4-ME-6-吨BuC 6 H 2 O）2 ]（CH 2 SiMe 3）2（5）。在室温下的溶液中，5异构化为C 1对称异构体6，其结构通过NMR光谱探测。确定用于异构化的热力学参数是ģ ⧧（45℃）=
• Synthesis of cis-dichloride complexes of Group 6 transition metals bearing alkyne and chalcogen-bridged chelating bis(aryloxo) ligands as catalyst precursors for ring-opening metathesis polymerization
  作者：Yoshinori Takashima、Yuushou Nakayama、Hajime Yasuda、Akira Nakamura、Akira Harada

  DOI：10.1016/s0022-328x(02)01377-3

  日期：2002.7

  the complexes for the ring-opening metathesis polymerization of norbornene derivatives were studied in the presence of Mg(CH2SiMe3)2 as a cocatalyst. The catalytic activities of the sulfur-bridged complexes tend to increase with increasing the bulkiness of acetylene ligand. The tellurium-bridged complex 5-C1 was found to be remarkably more active than the corresponding sulfur-bridged complexes.

  Dichlorotungsten络合物，W（η 2 -RCCR）（R' 2 TBP）氯2（1 - c ^小号：R = PH，R' 2 TBP = 2,2'-硫代双（4-甲基-6-叔- butylphenoxo）（吨卜2 TBP）; 2 - ç小号：R =的Et，R' 2 TBP = 2,2'-硫代双（4,6- dimethylphenoxo）（ME 2 TBP）; 3 - c ^ 1：R =的Et ，R' 2 TBP =吨卜2 TBP; 4 - c ^ 1：R =森达3，R' 2TBP =吨卜2 TBP），W（η 2 -PhCCPh）（吨卜2 Tebp）氯2（3 - c ^ 1：吨卜2 Tebp = 2,2'- tellurobis（4-甲基-6-叔-butylphenoxo）（5 - c ^ 1）和Mo（η 2 -PhCCPh）（吨卜2 TBP）氯2（6 - ç小号通过的反应制备）W（η
• Supramolecular Assemblies Involving Organometallic Free Acids
  作者：Timothy E. Baroni、Joseph A. Heppert、Rolande R. Hodel、Richard P. Kingsborough、Martha D. Morton、Arnold L. Rheingold、Glenn P. A. Yap

  DOI：10.1021/om960361g

  日期：1996.10.29

  Reactions between W(eta(2)-Ph(2)C(2))Cl-4 and salicylic acid derivatives generate analytically pure free acids of formula W(eta(2)-Ph(2)C(2))Cl-3(Hsal-R) (1) in high yields (Hsal a salicylate monoanion). The products exist as hydrogen-bonded dimers in the solid state. The acid functionality on one molecule hydrogen bonds to one of the cis-chloride ligands of an adjacent complex at a 3.03 Angstrom distance. The more electron-rich tungsten center renders these acetylene complexes less acidic than their axe and arylimido analogs. As a result, W(eta(2)-Ph(2)C(2))Cl-3(Hsal) exhibits partial dimerization in solution and have relatively weak hydrogen bonds to nitrogen- and oxygen-containing organic molecules. Among a range of possible phenol-phenoxide complexes of the W(eta(2)-Ph(2)C(2))Cl-3 subunit, only the ether adduct of the catecholate, W(eta(2)-Ph(2)C(2))Cl-3(Hcat ... OEt(2)) (2), has been isolated and structurally characterized. The weaker hydrogen bond strength of larger chelating bis(phenolates) evidently destabilize the phenol-phenoxide structures in favor of simple chelating bis(phenoxides). The salicylate free acids form various supramolecular complexes in solution and the solid state, including [W(eta(2)Ph(2)C(2))Cl-3(Hsal)](4)(18-crown-6) (5), one of a family of tetranuclear systems organized around hydrogen bonding to an 18-crown-6 template. This structure is characterized by pi-stacking of the Hsal ligands between confacial free acid complexes and the steric screening of the two non-hydrogen-bonded 18-crown-6 oxygens by pairs of antarafacial W(Ph(2)C(2)) units.
• Neumann, Petra; Dehnicke, Kurt; Baeuml, Petra, Zeitschrift fur Anorganische und Allgemeine Chemie
  作者：Neumann, Petra、Dehnicke, Kurt、Baeuml, Petra、Hiller, Wolfgang

  DOI：——

  日期：——