Palladium(0) alkyne complexes as active species: a DFT investigation

Ahlquist M; Fabrizi G; Cacchi S; Norrby PO

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Palladium(0) alkyne complexes as active species: a DFT investigation

机译：钯（0）炔烃配合物作为活性物种：DFT研究

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摘要

Alkynes have been found to be excellent ligands for Pd(0); the stability of a range of alkyne-Pd(0) complexes, and their reactivity in oxidative addition, have been investigated by DFT methods.

机译：已发现炔烃是Pd（0）的优良配体。 DFT方法研究了一系列炔烃-Pd（0）配合物的稳定性及其在氧化加成反应中的反应性。

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来源
《Chemical Communications》 |2005年第33期|p. 4196-4198|共3页
作者
Ahlquist M; Fabrizi G; Cacchi S; Norrby PO;
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作者单位

Tech Univ Denmark, DK-2800 Lyngby, Denmark;

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原文格式 PDF
正文语种 eng
中图分类化学;
关键词
DENSITY-FUNCTIONAL CALCULATIONS; OXIDATIVE ADDITION; DISUBSTITUTED ACETYLENES; ARYL HALIDES; HYDROVINYLATION; SOLVATION; NITROGEN;

机译：密度泛函计算;氧化添加;取代的乙炔;卤化芳烃;加氢乙烯基化;溶剂;氮;
入库时间 2022-08-17 13:31:50

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机译：合成新系列Ni（II），Cu（II），Co（II）和Pd（II）配合物，具有ONS供体Schiff基地：晶体结构，DFT研究和钯和镍络合物朝向脱酰硫烯基化的催化研究通过硫代铵盐形成活性甲基和吲哚的吲哚的区域选择性3-磺酰化
2. (Phosphanyloxazoline)palladium complexes, part II - (eta(3)-Phenylallyl)(phosphanyloxazoline)palladium complexes: X-ray crystallographic studies, NMR investigations, and ab initio/DFT calculations [J] . Kollmar M., Steinhagen H., Janssen JP., Chemistry: A European journal . 2002,第14期

机译：（膦酰基恶唑啉）钯配合物，第二部分-（η（3）-苯基烯丙基）（膦酰基恶唑啉）钯配合物：X射线晶体学研究，NMR研究和从头算/ DFT计算
3. Oxidative coupling of activated alkynes with palladium(0) olefin complexes:Side production of the highly symmetric hexamethyl mellitate species under mild conditions at low alkyne/complex molar ratios [J] . Luciano Canovese, Fabiano Visentin, Gavino Chessa, Inorganic Chemistry Communications . 2006,第4期

机译：活化炔烃与钯（0）烯烃络合物的氧化偶联：在温和条件下，低炔烃/络合物摩尔比下，高对称性六甲基甲磺酸盐物种的副产物
4. Selective cis-Addition of Aromatic C-H Bonds to Alkynes Catalyzed by Dinuclear Palladium Complexes [C] . Naofumi Tsukada, Tomohiro Mitsuboshi, Hiroyuki Setoguchi, Symposium on Organometallic Chemistry . 2003

机译：选择性CIS-加入芳香族C-H键，催化Diarcol钯配合物催化
5. Model complexes as probes of heme and nonheme enzymatic mechanisms: (1) Ferric peroxo porphyrin complexes as mimics of P450 enzymes using the ferric peroxo species as an active oxidant. (2) Strongly oxidizing iron (III) complexes as models of the active site intermediates of lipoxygenase. [D] . Wertz, Diana L. 1999

机译：将复合物建模为血红素和非血红素酶机制的探针：（1）使用过氧化铁物种作为活性氧化剂，将过氧化铁卟啉复合物模拟为P450酶。（2）强氧化铁（III）络合物作为脂氧合酶活性位点中间体的模型。
6. The Homocoupling Reaction of Aromatic Terminal Alkynes by a Highly Active Palladium(II)/AgNO3 Cocatalyst in Aqueous Media Under Aerobic Conditions [O] . Mengping Guo, Bo Chen, Meiyun Lv, 2016

机译：需氧条件下高活性钯（II）/ AgNO3助催化剂在水性介质中芳烃末端炔的均相偶联反应
7. Palladium(0) alkyne complexes as active species: a DFT investigation [O] . Mårten Ahlquist, Giancarlo Fabrizi, Sandro Cacchi, 2005

机译：钯（0）炔烃配合物作为活性物种：DFT研究

Palladium(0) alkyne complexes as active species: a DFT investigation

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