NMR detection of the strained metallacycles in organolithiums: theoretical study‡

文献情報

出版日 2023-12-26

DOI 10.1039/D3OB01916K

インパクトファクター 3.876

著者

Mark V. Kaplanskiy, Valerii V. Karpov, Elena Yu. Tupikina, Alexander S. Antonov

原文を見る

要旨

For the first time through quantum chemistry methods, the effective use of 1JCLi spin–spin coupling constants as descriptors for assessing the formation of strained metallacycles is demonstrated. Both acyclic organolithiums and 3- to 7-membered metallacycles are examined. 80 organolithium compounds, including both monomeric and dimeric species, with ligands containing fluorine, nitrogen, oxygen, and carbon (in the form of carbanions), are tested. In general, the 1JCLi values below 12 Hz for monomeric species and below 6 Hz for dimeric species serve as clear indicators of strained monomeric metallacycle formation (for 6Li nuclei). The primary contributor to the overall 1JCLi value is the Fermi-contact term, which correlates directly with the carbon-lithium interatomic distance and allows to distinguish between dimers and monomers.

掲載誌

Organic & Biomolecular Chemistry

CiteScore: 3.4

自己引用率: 10.3%

年間論文数: 1041

Organic & Biomolecular Chemistry (OBC) publishes original and high impact research and reviews in organic chemistry. We welcome research that shows new or significantly improved protocols or methodologies in total synthesis, synthetic methodology or physical and theoretical organic chemistry as well as research that shows a significant advance in the organic chemistry or molecular design aspects of chemical biology, catalysis, supramolecular and macromolecular chemistry, theoretical chemistry, mechanism-oriented physical organic chemistry, medicinal chemistry or natural products. Articles published in the journal should report new work which makes a highly-significant impact in the field. Routine and incremental work is generally not suitable for publication in the journal. More details about key areas of our scope are below. In all cases authors should include in their article clear rationale for why their research has been carried out.

NMR detection of the strained metallacycles in organolithiums: theoretical study‡

文献情報

おすすめジャーナル

関連文献

Crystal size-controlled growth of bismuth vanadate for highly efficient solar water oxidation

Understanding the role of nickel–iron (oxy)hydroxide (NiFeOOH) electrocatalysts on hematite photoanodes

Direct Z-scheme copper cobaltite/covalent triazine-based framework heterojunction for efficient photocatalytic CO2 reduction under visible light

Nb2C MXene assisted CoNi bimetallic catalysts for hydrogenolysis of aromatic ethers

Selective electrochemical reduction of CO2 to formic acid in a gas phase reactor with by-product recirculation

Influence of process conditions on hydrothermal liquefaction of eucalyptus biomass for biocrude production and investigation of the inorganics distribution

The influence of pre-steaming and lignin distribution on wood pellet robustness and ease of subsequent enzyme-mediated cellulose hydrolysis

Impacts of metal oxide additives on the capacity and stability of calcium oxide based materials for the reactive sorption of CO2

Electrofuels from excess renewable electricity at high variable renewable shares: cost, greenhouse gas abatement, carbon use and competition

Ultra-low amount Pt-doped Co2P/Ni2P on nickel foam as an efficient electrocatalyst for the hydrogen evolution reaction in an alkaline electrolyte

こちらもおすすめ

5-苄基四氢吡咯并[3,4-c]吡咯-1,3[2H,3ah]-二酮の主な用途は何ですか？

唾液酸路易ス Aを取り扱う際の実験室安全事項は何ですか？

タルトブチル ((1-(2-クロロアセチル)ピペリジン-4-イルメチル)カーバamatはどの業界で使用されていますか？

3-烯丙基-2-羟基苯甲醛の物理化学的性質は何ですか？

乳清酸 Potassium Orotateとは何ですか？

4-甲基苯磺酸异丙酯はどの業界で使用されていますか？

6-(3- Florobenzen)-N-[1-(2,2,2- Trifluoroethyl)-4-Piperidinyl]-3-Pyridinycarboxamideはどの業界で使用されていますか？

左西孟旦はどのように合成されますか？

3-乙氧基哌啶盐酸盐に適用される法規ガイドラインは何ですか？

Diethyl (hydroxymethyl)phosphonateの主な用途は何ですか？

掲載誌

Organic & Biomolecular Chemistry

おすすめ化合物

(2S)-2-({N-[(2S)-2-Ammonio-4-methylpentanoyl]glycyl}amino)-3-phenylpropanoate

(3S)-Tetrahydro-2H-pyran-3-amine

Ethyl 5-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1,2-oxazole-3-carboxylate

N-[(1R,2R)-2-Amino-1,2-diphenylethyl]-1,1,1-trifluoromethanesulfonamide

4,4-Diphenyl-2-cyclohexen-1-one

おすすめサプライヤー