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Showing 1-20 of 157 results

  1. Quantum-Chemical Study of Cobalt Complexes with o-Quinones Modified with Silicon Triangulene Derivatives

    Abstract

    Computational modeling (DFT UB3LYP/6-311++G(d,p)) of the spatial structure, energy parameters, and magnetic properties of the adducts of...

    V. I. Minkin, A. A. Starikova, ... A. G. Starikov in Doklady Chemistry
    Article 01 October 2020

  2. o-Benzoquinone Cobalt Complexes Bearing Organosilicon Radicals: Quantum-Chemical Study

    Abstract

    A computer modeling (DFT UTPSSh/6-311++G(d,p)) of electronic structures, geometric parameters, energy characteristics, and magnetic...

    A. A. Starikova, M. G. Chegerev, ... V. I. Minkin in Russian Journal of Coordination Chemistry
    Article 12 April 2022

  3. Computational modeling of cobalt diketonate adducts with o-benzoquinones incorporating organosilicon radicals

    A density functional UB3LYP*/6–311++G(d,p) quantum chemical study of the electronic structure, energy characteristics, and magnetic properties of...

    A. G. Starikov, M. G. Chegerev, ... V. I. Minkin in Russian Chemical Bulletin
    Article 25 February 2021

  4. Electronic Structure and Magnetic Properties of Mixed-Ligand Cobalt Complexes Containing Organogermanium Triangulenes

    Abstract

    Computational modeling of cobalt(II) diketonate adducts with o -benzoquinones modified with organogermanium triangular cycles of different...

    M. G. Chegerev, A. A. Starikova, ... V. I. Minkin in Russian Journal of General Chemistry
    Article 01 December 2020

  6. Quantum Chemical Study of Spin Transitions in the Bimetallic Fe/Co Complexes with the Bis(catecholate) Bridging Ligand

    Abstract

    The computational modeling of the spatial and electronic structures, energy characteristics, and magnetic properties of the bimetallic iron...

    M. G. Chegerev, A. G. Starikov, A. A. Starikova in Russian Journal of Coordination Chemistry
    Article Open access 10 September 2021

  7. Effect of the nature of a fluorinated substituent on the synthesis of functionalized 1,3-diketones

    The synthesis of alkali metal and copper( ii ) 1-polyfluoroalkyl-4,4-dimethoxypentane-1,3-dionates is reported. The subsequent treatment of these...

    Yu. S. Kudyakova, A. Ya. Onoprienko, ... D. N. Bazhin in Russian Chemical Bulletin
    Article 01 April 2021

  8. Synthesis and structure of homoleptic copper complexes based on fluorinated functionalized 1,3-diketones

    Mononuclear copper( ii ) complexes were synthesized based on fluorinated diketonates decorated with a carbonyl or acetal group. The X-ray diffraction...

    V. I. Saloutin, Ya. V. Burgart, ... D. N. Bazhin in Russian Chemical Bulletin
    Article 01 May 2021

  9. Quantum Chemical Study of the Structures and Stability of Copper(II) Bis(diketonate) Dimers

    Abstract

    The quantum-chemical study of the copper diketonate dimers ([Cu(Acac) 2 ] 2 and [Cu(Acac)Hfac)] 2 ) is performed using various functionals...

    A. G. Starikov, A. A. Starikova, V. I. Minkin in Russian Journal of Coordination Chemistry
    Article 21 March 2021

  10. β-DIKETONATE DERIVATIVES OF PLATINUM(II): PREPARATION AND PHYSICO-CHEMICAL STUDY

    Abstract

    β-Iminoketones H(i-thd) ( t -BuCOCH 2 NH t -Bu) and H(i-zis) ( t -BuCOCH 2 NHC(CH 3 ) 2 (OCH 3 )) and the corresponding platinum(II) complexes Pt(i-thd) 2 ( 1 )...

    I. A. Baidina, S. I. Dorovskikh, ... T. V. Basova in Journal of Structural Chemistry
    Article 29 September 2023

  11. Anion Sensing by Metal-Based Receptors

    Metal-based receptors are an important and expanding class of molecules in anion sensing. This review describes the subject with specific focus on...
    Paul D. Beer, Simon R. Bayly in Anion Sensing
    Chapter

  12. Computational modeling of mixed-ligand cobalt complexes with o-quinone derivative of corannulene

    The structure and energy characteristics of isomers of electrically neutral adducts of tetracoordinate cobalt complexes with o -quinone derivative of...

    А. А. Starikova, A. G. Starikov, ... V. I. Minkin in Russian Chemical Bulletin
    Article 01 November 2018

  13. Ambidentate and redox-properties of 4,7-phenanthroline-5,6-dione in cobalt complexes: a quantum chemical study

    Mono- and dinuclear adducts of cobalt diketonates with tetradentate 4,7-phenanthroline- 5,6-dione were modeled within the framework of DFT...

    A. G. Starikov, А. А. Tsaturyan, ... V. I. Minkin in Russian Chemical Bulletin
    Article 01 July 2018

  14. Supramolecular Chiral Functional Materials

    The preparation of chiral functional materials with new, improved, and interesting properties is aided tremendously by control of the spatial...
    David B. Amabilino, Jaume Veciana in Supramolecular Chirality
    Chapter

  15. Trinuclear adducts of cobalt diketonates based on di-o-quinone with a bis(chelate) linker: Computational search for spin qubits

    Computer modeling (DFT UB3LYP*/6-311++G(d,p)) of trinuclear cobalt diketonate adducts based on di- o -quinone containing a bis(chelate) linker has been...

    A. A. Starikova, V. I. Minkin in Doklady Chemistry
    Article 01 March 2017

  16. Iron(III) Spin Crossover Compounds

    In this chapter, selected results obtained so far on Fe(III) spin crossover compounds are summarized and discussed. Fe(III) spin...
    Petra J. van Koningsbruggen, Yonezo Maeda, Hiroki Oshio in Spin Crossover in Transition Metal Compounds I
    Chapter

  17. Methoxy-Substituted Transition Metal β-Diketonates: Synthesis and Properties

    Novel volatile complexes of Ni(II), Co(II), Mn(II), Zn(II) with methoxy-substituted β-diketonate ligands L = (CH 3 ) 2 C(OCH 3 )-CO-CH-CO-C(CH 3 ) 3 and L F =...

    S. Urkasym kyzy, V. V. Krisyuk, ... I. V. Korolkov in Journal of Structural Chemistry
    Article 01 October 2019

  18. Computational modeling of mixed-ligand cobalt diketonate complexes with pyrene-4,5,9,10-tetraimine

    Quantum-chemical modeling (DFT UB3LYP*/6-311++G( d , p )) of binuclear mixed-ligand cobalt diketonate complexes with pyrene-4,5,9,10-tetraimine has been...

    A. A. Starikova, A. G. Starikov, V. I. Minkin in Doklady Chemistry
    Article 01 August 2017

  19. Valence-tautomeric adducts of Co(II) diketonates based on annelated di-o-quinones: Computer simulation

    The computer simulation (DFT B3LYP*/6-311++G(d,p)) is performed for the adducts of divalent cobalt diketonates with di- o -quinones in which the...

    A. A. Starikova, A. G. Starikov, V. I. Minkin in Russian Journal of Coordination Chemistry
    Article 20 April 2017

  20. Quantum chemical modeling of valence tautomeric adducts of CoII bischelates with pyrene-4,5-diimines

    Quantum chemical study of mixed-ligand (1: 1) adducts of tetracoordinated cobalt complexes (diketonates, bis-aminovinylketonates, and...

    V. I. Minkin, A. A. Starikova, A. G. Starikov in Russian Chemical Bulletin
    Article 01 February 2017
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