Thermolysis of iron N-allylaminocarbene complexes: Formation of eta(3)-1-azaallylirontricarbonyl complexes. Synthetic and theoretical study

Meca L.; Cisarova I.; Dvorak D.

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Thermolysis of iron N-allylaminocarbene complexes: Formation of eta(3)-1-azaallylirontricarbonyl complexes. Synthetic and theoretical study

机译：铁N-烯丙基氨基卡宾配合物的热解：eta（3）-1-氮杂烯丙基三羰基配合物的形成。综合理论研究

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Both chelated and nonchelated N-allyl-N-methylaminocarbene complexes of iron unsubstituted at the 1- and 3-positions of an allyl substituent afforded by thermolysis new eta(3)-iron tricarbonyl complexes of 2,3-dihydropyrrole. The proposed mechanism of these reactions involves bicyclo[2.1.1]-2-aza-5-ferrahexane as an intermediate formed by [2+2] cycloaddition. Formation of this intermediate requires antiparallel arrangement of Fe=C and C=C double bonds in the cycloaddition step. This mechanism was supported by reaction of deuterium-labeled complexes and by the density functional calculations of B3LYP quality. The structure of tricarbonyl[(eta(3)-N-methyl-2-(biphenyl-4-yl)-4,5-dihydropyrroleliron(0) (4f) has been determined by X-ray diffraction. [References: 23]

机译：通过热解2,3-二氢吡咯的新eta（3）-三羰基铁三羰基铁配合物而得到的未取代的烯丙基取代基的1-位和3-位的铁的螯合和非螯合的N-烯丙基-N-甲基氨基碳烯络合物。这些反应的拟议机制涉及双环[2.1.1] -2-氮杂-5-ferra己烷作为由[2 + 2]环加成反应形成的中间体。该中间体的形成需要在环加成步骤中Fe = C和C = C双键的反平行排列。氘标记的复合物的反应和B3LYP质量的密度泛函计算支持了这一机理。三羰基[（η（3）-N-甲基-2-（联苯-4-基）-4,5-二氢吡咯铁（0）（4f）]的结构已通过X射线衍射测定[参考文献：23]。

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《Organometallics》 |2003年第18期|共7页
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Meca L.; Cisarova I.; Dvorak D.;
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正文语种 eng
中图分类有机化学;
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Alkene aminocarbene complexes; X-ray structure; (aminocarbene)chromium(0) complexes; Dimethyl acetylenedicarboxylate; 1; 3-dipolar cycloaddition; Double-bond; Reactivity; Chromium; Alkynes; Cyclopropanation;

机译：烯烃氨基卡宾配合物;X射线结构;（氨基卡宾）铬（0）配合物;乙炔二羧酸二甲酯;1;3-偶极环加成;双键;反应性;铬;炔烃;环丙烷化;

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1. Thermolysis of iron N-allylaminocarbene complexes: Formation of eta(3)-1-azaallylirontricarbonyl complexes. Synthetic and theoretical study [J] . Meca L., Cisarova I., Dvorak D. Organometallics . 2003,第18期

机译：铁N-烯丙基氨基卡宾配合物的热解：eta（3）-1-氮杂烯丙基三羰基配合物的形成。综合理论研究
2. Theoretical Study of the Water Oxidation Mechanism with Non-heme Fe(Pytacn) Iron Complexes. Evidence That the Fe~(IV)(O)(Pytacn) Species Cannot React with the Water Molecule To Form the O-O Bond [J] . Ferran Acun?a-Pare?s, Miquel Costas, Josep M. Luis, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2014,第11期

机译：非血红素Fe（Pytacn）铁配合物水氧化机理的理论研究。 Fe〜（IV）（O）（Pytacn）物种不能与水分子反应形成O-O键的证据
3. Polymer complexes. LXV. Potentiometry, theoretical and molecular docking studies of azo allylrhodanine derivatives and their metal complexes in monomeric and polymeric forms [J] . El-Bindary A. A., El-Sonbati A. Z., Diab M. A., Journal of Molecular Liquids . 2016,第Null期

机译：聚合物配合物。 LXV。偶氮烯丙基罗丹宁衍生物及其单体和聚合物形式的金属配合物的电位，理论和分子对接研究
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机译：四核稀土金属聚醇配合物氢化一氧化碳。乙烯选择性形成和良好定义的Polyoxo稀土金属簇分离
5. X-ray absorption spectroscopic studies of binuclear iron proteins and transition metal synthetic complexes. [D] . Jackson Rudd, Deanne. 2005

机译：双核铁蛋白和过渡金属合成配合物的X射线吸收光谱研究。
6. Time-resolved fluorescence studies of tryptophan mutants of Escherichia coli glutamine synthetase: conformational analysis of intermediates and transition-state complexes. [O] . W. M. Atkins, J. J. Villafranca 1992

机译：大肠杆菌谷氨酰胺合成酶色氨酸突变体的时间分辨荧光研究：中间体和过渡态复合物的构象分析。
7. Kinetic Studies of Solvent Extraction of Metal Complexes. VIII. Rate of Complex Formation and Solvent Extraction of Iron(III) in Aqueous Perchlorate Solutions with 1,1,1-Trifluoro-2,4-pentanedione [O] . Tatsuya Sekine, Kazuho Inaba 1982

机译：金属配合物溶剂萃取的动力学研究。 VIII。用1,1,1-三氟-2,4-戊烯酮水溶液溶液中铁（III）中铁（III）的复杂形成和溶剂萃取速率
8. MOSSBAUER STUDIES OF IRON ORGANOMETALLIC COMPLEXES. IV. SIGN OF THE ELECTRIC FIELD GRADIENT IN FERROCENE, [R] . collins, r. l. 1965

机译：莫桑巴尔铁有机化合物的研究。 IV。二茂铁中电场梯度的符号，

Thermolysis of iron N-allylaminocarbene complexes: Formation of eta(3)-1-azaallylirontricarbonyl complexes. Synthetic and theoretical study

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