[5-(diethylamino)-7,7-bis(dimethylamino)-6-methyl-1,2,3,4,6-heptapentaenylidene]pentacarbonyltungsten | 204322-25-8

• 英文名称: [5-(diethylamino)-7,7-bis(dimethylamino)-6-methyl-1,2,3,4,6-heptapentaenylidene]pentacarbonyltungsten
• CAS: 204322-25-8
• 化学式: C₂₁H₂₅N₃O₅W
• 分子量: 583.297
• InChiKey: CCJQKBBZZOFOJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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反应信息

• 作为产物：
  描述：

  (5,5-bis(dimethylamino)-1,2,3,4-pentatetraenylidene)(pentacarbonyl)tungsten 、 1-(二乙氨基)丙炔 以 二氯甲烷 为溶剂， 以61%的产率得到[5-(diethylamino)-7,7-bis(dimethylamino)-6-methyl-1,2,3,4,6-heptapentaenylidene]pentacarbonyltungsten
  参考文献：
  名称：

  Synthesis and Nonlinear Optical Properties of New Heptapentaenylidene Complexes:  Study on the Second Harmonic Generation Efficiencies of Amino-Substituted Group 6 Cumulenylidenes

  摘要：

  Reaction of the ynamine MeC=CNEt2 with the pentatetraenylidene complexes [(CO)(5)-M=C=C=C=C=C(NMe2)(2)] (M = Cr (3a), W (3b)) at room temperature affords the new heptapentaenylidene complexes [(CO)(5)M=C=C=C=C=C(NEt2)C(Me)=C(NMe2)(2)] (M = Cr (5a), W (5b)) in good yield. The spectroscopic data and the X-ray structural analysis of 5a indicate that these amino-substituted metallacumulenes are best described as hybrids of a cumulene and several strongly polarized alkynyl structures. For 5a and the related metallacumulenes [(CO)(5)M=C=C=C(NMe2)(2)] (M = Cr (1a), W (1b)), [(CO)(5)Cr=C=C=C(NEt2)C(H)=C(NMe2)(2)] (2a), and 3a,b the molecular first hyperpolarizability beta was determined by hyper-Rayleigh scattering experiments. The insertion of a cumulated Ct unit into a metallacumulene quadruples beta, while the insertion of a conjugated C-2 unit results in only slight enhancement of the second harmonic generation response. Substitution of tungsten for chromium has only a minor effect on beta. All observed beta values are reasonably high compared with those of other organometallic compounds.

  DOI：

  10.1021/om970896p