Crossref Cited-by Linking logo

Collect. Czech. Chem. Commun. 1994, 59, 1699-1708
https://doi.org/10.1135/cccc19941699

MNDO and ab initio Calculations of Methyl 2-Lithioisobutyrate and Its Solvates and Aggregates

Jiří Dybal and Jaroslav Kříž

Institute of Macromolecular Chemistry, Academy of Sciences of the Czech Republic, 162 06 Prague 6, Czech Republic

Crossref Cited-by Linking

  • De Vries Timothy S., Bruneau Angela M., Liou Lara R., Subramanian Hariharaputhiran, Collum David B.: Azaaldol Condensation of a Lithium Enolate Solvated by N,N,N′,N′-Tetramethylethylenediamine: Dimer-Based 1,2-Addition to Imines. J. Am. Chem. Soc. 2013, 135, 4103. <https://doi.org/10.1021/ja400345c>
  • Ma Yun, Stivala Craig E., Wright Ashley M., Hayton Trevor, Liang Jun, Keresztes Ivan, Lobkovsky Emil, Collum David B., Zakarian Armen: Enediolate–Dilithium Amide Mixed Aggregates in the Enantioselective Alkylation of Arylacetic Acids: Structural Studies and a Stereochemical Model. J. Am. Chem. Soc. 2013, 135, 16853. <https://doi.org/10.1021/ja403076u>
  • Zune C., Jérôme R.: Anionic polymerization of methacrylic monomers: characterization of the propagating species. Progress in Polymer Science 1999, 24, 631. <https://doi.org/10.1016/S0079-6700(99)00013-1>
  • Vlček P., Lochmann L.: Anionic polymerization of (meth)acrylate esters in the presence of stabilizers of active centres. Progress in Polymer Science 1999, 24, 793. <https://doi.org/10.1016/S0079-6700(99)00017-9>
  • Yakimansky Alexander V., Müller Axel H. E.: Quantum-Chemical (Density Functional Theory) Study of Lithium 2-Methoxyethoxide, Methyl α-Lithioisobutyrate, and Their Mixed Aggregates as Models of the Active Center in the Anionic Polymerization of Methacrylates. Macromolecules 1999, 32, 1731. <https://doi.org/10.1021/ma981514+>
  • Zune C., Dubois P., Jérôme R., Kříž J., Dybal J., Lochmann L., Janata M., Vlček P., Werkhoven T. M., Lugtenburg J.: Study of the Propagation Center in the Anionic Polymerization of (Meth)acrylic Monomers:  NMR and MO LCAO Study of the Interaction of Di-tert-butyl 2-Lithio-2,4,4-trimethylglutarate and the Living Poly(tert-butyl methacrylate) Oligomers with Lithium 2-(2-Methoxyethoxy)ethoxide in Tetrahydrofuran. Macromolecules 1998, 31, 2731. <https://doi.org/10.1021/ma971368s>
  • Zune C., Dubois P., Jérôme R., Kříž J., Dybal J., Lochmann L., Janata M., P. Vlèek, Werkhoven T. M., Lugtenburg J.: Study of the Propagation Center in the Anionic Polymerization of (Meth)acrylic Monomers:  NMR and MNDO Study of the Complexes of Di-tert-butyl 2-Lithio-2,4,4-trimethylglutarate and of the Living Poly(tert-butyl methacrylate) Oligomers with Lithium Chloride. Macromolecules 1998, 31, 2744. <https://doi.org/10.1021/ma971369k>
  • Dybal Jiří, Kříž Jaroslav: Stereoselectivity of an early propagation step in the anionic polymerization of methyl methacrylate – ab initio SCF, MNDO and AM1 study. Macro Theory & Simulations 1997, 6, 437. <https://doi.org/10.1002/mats.1997.040060209>
  • Abbotto Alessandro, Streitwieser Andrew, Schleyer Paul von Rague: Ab Initio and Semiempirical Study of the Effect of Ethereal Solvent on Aggregation of a Lithium Enolate. J. Am. Chem. Soc. 1997, 119, 11255. <https://doi.org/10.1021/ja971715d>
  • Kříž Jaroslav, Stehlíček Jaroslav, Dybal Jiří, Hauer Jan: Study of the propagation centre in the anionic polymerization of lactams, 2. Model study of the interaction between an activated monomer and N‐acyllactam in dimethyl sulfoxide. Macro Chemistry & Physics 1996, 197, 483. <https://doi.org/10.1002/macp.1996.021970205>
  • Kříž Jaroslav, Dybal Jiří, Janata Miroslav, Lochmann Lubomír, Vlček Petr: Study of the propagation centre in the anionic polymerization of (meth)acrylic monomers, 7. Study of the interaction of the living dimer with lithium tert‐butoxide in tetrahydrofuran. Macro Chemistry & Physics 1996, 197, 1889. <https://doi.org/10.1002/macp.1996.021970610>
  • Weiss Horst, Yakimansky Alexander V., Müller Axel H. E.: Quantum-Chemical Study of the Structure, Aggregation, and NMR Shifts of the Lithium Ester Enolate of Methyl Isobutyrate. J. Am. Chem. Soc. 1996, 118, 8897. <https://doi.org/10.1021/ja960973s>
  • Kříž Jaroslav, Dybal Jiří, Lochmann Lubomír, Janata Miroslav, Vlček Petr: Study of the propagation centre in the anionic polymerization of (meth)acrylic monomers, 5. Nuclear magnetic resonance study of the model dimer in tetrahydrofuran. Macro Chemistry & Physics 1995, 196, 3005. <https://doi.org/10.1002/macp.1995.021960923>
  • Kříž Jaroslav, Dybal Jiří, Janata Miroslav, Vlček Petr: Study of the propagation centre in the anionic polymerization of (meth)acrylic monomers, 4 NMR and quantum chemical study of the initiation systems containing tert‐butyl 2‐lithioisobutyrate and lithium tert‐butoxide or lithium 3‐methylpentan‐3‐olate. Macro Chemistry & Physics 1995, 196, 3117. <https://doi.org/10.1002/macp.1995.021961004>
  • Kříž J., Dybal J., Janata M., Vlček P.: Study of the propagation centre in the anionic polymerization of (meth)acrylic monomers: NMR and MNDO study of the complexes of methyl 2‐lithioisobutyrate and of the living methyl methacrylate oligomer with lithium tert‐butoxide. Magnetic Reson in Chemistry 1994, 32. <https://doi.org/10.1002/mrc.1260321305>