Synthesis and Structure of Manganese Complexes with N,N’-bis[(2,4,6-trimethylphenyl)imino]acenaphthene

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Abstract

Methods for the synthesis of new manganese(II) complexes with N,N’-bis[(2,4,6-trimethylphenyl) imino (acenaphthene (Tmp-bian), [Mn(Tmp-bian)Br2] (I), [Mn(Tmp-bian)(EtOH)Br2] (Ia), [Mn(Tmpbian) Cl2] (II), [Mn(Tmp-bian)2 (ClO4) 2] (III), and [Mn(Tmp-bian)2(OTs)2] (IV) were developed. The obtained compounds were characterized by elemental analysis and IR spectroscopy. The molecular structures of I, Iа, and III were determined by X-ray diffraction (CCDC no. 233510–233512). The electronic structures of I and III were established by quantum chemical calculations using density functional theory (DFT).

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About the authors

Yu. A. Laricheva

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Email: nikolaj.romashev75@gmail.com
Russian Federation, Novosibirsk

Ch. Guan

Novosibirsk National Research State University

Email: nikolaj.romashev75@gmail.com
Russian Federation, Novosibirsk

N. V. Kuratieva

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Email: nikolaj.romashev75@gmail.com
Russian Federation, Novosibirsk

N. F. Romashev

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Author for correspondence.
Email: nikolaj.romashev75@gmail.com
Russian Federation, Novosibirsk

A. L. Gushchin

Nikolaev Institute of Inorganic Chemistry of the Siberian Branch of the Russian Academy of Sciences

Email: nikolaj.romashev75@gmail.com
Russian Federation, Novosibirsk

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Supplementary files

Supplementary Files
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2. Scheme 1. Synthesis of Mn/BIAN complexes

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3. Scheme 2. Synthesis of Mn/BIAN organometallic complexes

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4. Scheme 3

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5. Scheme 4. Synthesis of manganese complexes I-IV

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6. Fig. 1. Molecular structure of complexes I and Ia according to PCA data. The insets show the selected angles of the Mn-Br(2)-N(2) (left) and Mn-Br(2)-N(2)-O (right) coordination unit. Hydrogen atoms are omitted for clarity

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7. Fig. 2. Molecular structure of complex III according to PCA data (a); selected angles of the Mn-N(2)-O(2) coordination unit (b). Hydrogen atoms are not shown

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8. Fig. 3. General view and energy levels of the boundary orbitals for the ground state of complex I. VZMO, VZMO-1, VZMO-2, VZMO-3, NSMO, NSMO+1 are shown

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9. Fig. 4. General view and energy levels of the boundary orbitals for the ground state of complex III. VZMO, VZMO-1, VZMO-2, VZMO-3, NSMO, NSMO+1 are shown

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