Auf den Spuren von Narnia

Bender, Melanie

doi:10.30965/9783657770984

Cited by 2 publications

(6 citation statements)

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“…The total energies are 37.3 and 39.3 kcal/mol, respectively, for A-Ge and A-Sn. The presence of intramolecular coordination bonds F → M was found experimentally using X-ray data (M••• F distances are shorter than the sums of van der Waals radii) 49,50 and NMR (splitting of signals in 19 F and 119 Sn spectra due to spin−spin interaction, J SnF ). 108 In Cp*-type tetrylenes, no valence bonds between E atoms and carbon atoms of cyclopentadienyl rings were localized.…”

Section: ■ Computational Approachesmentioning

confidence: 76%

“…The presence of intramolecular coordination bonds F → M was found experimentally using X-ray data (M••• F distances are shorter than the sums of van der Waals radii) 49,50 and NMR (splitting of signals in 19 F and 119 Sn spectra due to spin−spin interaction, J SnF ). 108 In Cp*-type tetrylenes, no valence bonds between E atoms and carbon atoms of cyclopentadienyl rings were localized. Consequently, the interactions between M 2+ and Cp* − fragments are described by the NBO method as donor− acceptor.…”

Section: ■ Computational Approachesmentioning

confidence: 76%

“…In most cases, molecular structures of the compounds under study were d e t e r m i n e d p r e v i o u s l y u s i n g X -r a y a n a l ysis. [43][44][45][48][49][50]52,55,56,[60][61][62][63]106 Table S1 presents geometry parameters calculated in this work in comparison with experimental data. Deviations in valence bond lengths and valence angles do not exceed 0.05 Å and 5°, respectively.…”

Section: ■ Computational Approachesmentioning

confidence: 99%

“…48,51 • In type A compounds, short M•••F distances were found, which is indicative of coordination interactions. 49,50,108 • Cyclic fragments in Ard are flat due to π-conjugation.…”

Section: ■ Computational Approachesmentioning

confidence: 99%

“…by Kira's cyclic derivatives (S−Si, 43 S-Ge, 44 S−Sn 45,46 ). Stabilization of tetrylenes using only intramolecular coordination C (C-Ge, 47 C-Sn 48 ), electron-withdrawing substituents A (A-Ge, 49 A-Sn 50 ), and combination of coordination and an acceptor A+C (A+C-Ge, A+C-Sn 51 ) without significant steric shielding is only possible for germanium and tin derivatives.…”

Section: ■ Introductionmentioning

confidence: 99%

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Tetrylenes: Electronic Structure, Stability, Reactivity, and Ligand Properties—A Comparative DFT Study

Nechaev

2021

Organometallics

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A comprehensive theoretical analysis of the electronic structure, reactivity, and ligand properties for various types of divalent derivatives of group 14 elements, tetrylenes, R 2 E (E = C, Si, Ge, Sn), was performed at the DFT level. For a deeper understanding of the stability and the origin of chemical properties of tetrylenes, molecules stable in the monomeric form in the solid state with real substituents were considered. Tetrylenes stabilized by various factors were studied: steric shielding, attachment of electron-withdrawing substituents to E atom, electron delocalization, and intramolecular coordination bonding. The effect of various stabilization factors on the chemical and ligand properties of tetrylenes was investigated using theoretical modeling. The obtained data can be used for the rational design of tetrylenes and their complexes with transition metals and can also serve as a comprehensive tutorial on the theoretical aspects of the structure and reactivity of tetrylenes within one approach and at one level of theory.

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Section: ■ Computational Approachesmentioning

confidence: 76%

Section: ■ Computational Approachesmentioning

confidence: 76%

Section: ■ Computational Approachesmentioning

confidence: 99%

Section: ■ Computational Approachesmentioning

confidence: 99%

Section: ■ Introductionmentioning

confidence: 99%

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Tetrylenes: Electronic Structure, Stability, Reactivity, and Ligand Properties—A Comparative DFT Study

Nechaev

2021

Organometallics

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Advances in the Synthesis of Preceramic Polymers for the Formation of Silicon-Based and Ultrahigh-Temperature Non-Oxide Ceramics

et al. 2023

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Preceramic polymers (PCPs) are a group of specialty macromolecules that serve as precursors for generating inorganics, including ceramic carbides, nitrides, and borides. PCPs represent interesting synthetic challenges for chemists due to the elements incorporated into their structure. This group of polymers is also of interest to engineers as PCPs enable the processing of polymer-derived ceramic products including high-performance ceramic fibers and composites. These finished ceramic materials are of growing significance for applications that experience extreme operating environments (e.g., aerospace propulsion and high-speed atmospheric flight). This Review provides an overview of advances in the synthesis and postpolymerization modification of macromolecules forming nonoxide ceramics. These PCPs include polycarbosilanes, polysilanes, polysilazanes, and precursors for ultrahigh-temperature ceramics. Following our review of PCP synthetic chemistry, we provide examples of the application and processing of these polymers, including their use in fiber spinning, composite fabrication, and additive manufacturing. The principal objective of this Review is to provide a resource that bridges the disciplines of synthetic chemistry and ceramic engineering while providing both insights and inspiration for future collaborative work that will ultimately drive the PCP field forward.

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Auf den Spuren von Narnia

Cited by 2 publications

References 0 publications

Tetrylenes: Electronic Structure, Stability, Reactivity, and Ligand Properties—A Comparative DFT Study

Tetrylenes: Electronic Structure, Stability, Reactivity, and Ligand Properties—A Comparative DFT Study

Advances in the Synthesis of Preceramic Polymers for the Formation of Silicon-Based and Ultrahigh-Temperature Non-Oxide Ceramics

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