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Beilstein J. Org. Chem. 2023, 19, 477–486, doi:10.3762/bjoc.19.37
Graphical Abstract
Scheme 1: Experimental data (series a–d, k) and non-studied examples (series e–j) for transannular cycloaddit...
Figure 1: Optimized (m062x/6-31G(d)) geometries for the transition structures of series a–f.
Figure 2: Top: Cycloaddition of protonated hydrazones as inverse-demand reaction of cycloaddition of azomethi...
Figure 3: Global electron density transfer (GEDT). Dashed black line indicates both TS.
Figure 4: ELF analysis for the reaction of series b leading to a system 6-6. Black trace corresponds to IRC. ...
Figure 5: Quantitative NCI analysis [36] for the reaction of series a–f leading to fused cyclohexanes. The result...
Figure 6: (a) Transannular cycloadditons of compounds 1a–k. (b) Houk’s distortion model applied to the reacti...
Scheme 2: Reaction with simple models.
Beilstein J. Org. Chem. 2019, 15, 1552–1562, doi:10.3762/bjoc.15.158
Scheme 1: Oxidation of alkanes with RuO4.
Scheme 2: Mechanisms for RuO4 oxidation of alkanes.
Scheme 3: Oxidation of saturated five-membered (hetero)cyclic compounds.
Scheme 4: Rate-limiting step for the oxidation of cyclopentane (R1), tetrahydrofuran (R2) and tetrahydrothiop...
Figure 1: Optimized (B3LYP-d3bj/Def2SVP/cpcm=MeCN) geometries of transition structures corresponding to the o...
Figure 2: ELF analysis for the oxidation of cyclopentane (R1). Left: evolution of the electron population alo...
Figure 3: ELF analysis for the oxidation of tetrahydrofuran (R2, A) and tetrahydrothiophene (R3, B). Left: ev...
Figure 4: ELF assignment of electrons to the Ru environment. C(Ru) corresponds to a monosynaptic core basin a...
Scheme 5: Rate-limiting step for the oxidation of N-methyl- and N-benzylpyrrolidines R4 and R5, respectively.
Figure 5: Energy profile for the oxidation of R4 and R5. Relative energies, calculated at the B3LYP-d3bj/Def2...
Figure 6: Optimized (B3LYP-d3bj/Def2SVP/cpcm=water) transition structures for the oxidation of R4 and R5.