𝔖 Bobbio Scriptorium
✦   LIBER   ✦

SN2 vs. E2 on quaternary centres: an application to the synthesis of enantiopure ?2,2-amino acidsElectronic supplementary information (ESI) available: experimental details, spectroscopic characterization of all compounds, crystal structure data and tables of electronic energies, enthalpies, entropies, Gibbs free energies and coordinates for the conformations of structures. See http://www.rsc.org/suppdata/cc/b4/b400282b/

✍ Scribed by Avenoza, Alberto; Busto, Jes�s H.; Corzana, Francisco; Jim�nez-Os�s, Gonzalo; Peregrina, Jes�s M.

Book ID
120019126
Publisher
Royal Society of Chemistry
Year
2004
Tongue
English
Weight
178 KB
Volume
8
Category
Article
ISSN
1359-7345

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Jahn???Teller distortion of the open-she
Jahn???Teller distortion of the open-shell 23-electron chalcogenide rhenium cluster cores in crystals of the series, {[Re6Q8]3+(X???)6}3??? (Q = S, Se; X = Cl, CN)Electronic supplementary information (ESI) available; crystallographic data (collected on a STOE IPDS equipped with an Oxford cryostat) and full details of solution and refinement for all 14 structures reported herein, Tables 2???6. CCDC 186991???187004. See http://www.rsc.org/suppdata/cc/b2/b205241e/ for crystallographic files in .cif or other electronic format.
✍ Baudron, St??phane A.; Deluzet, Andr??; Boubekeur, Kamal; Batail, Patrick 📂 Article 📅 2002 🏛 Royal Society of Chemistry 🌐 English ⚖ 902 KB
1H-1,3-Diazepines, 5H-1,3-diazepines, 1,
1H-1,3-Diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenesPreliminary reports on parts of this work have been published in ref 1. This paper is Diazepines, Part 3. For Part 2, see ref 2.,Electronic supplementary information (ESI) available: NMR spectra of 4a, 4c, 19v ? 20, 19a ? 25a, and 19g ? 25g (Fig. S1?S6), Arrhenius and Eyring plots for H-exchange in 4b,c (Fig. S7), views of the X-ray crystal structures of compounds 26 and 22bB (Fig. S8?S9), bond lengths and angles for compounds 4k, 22bB and 26, preparative procedures and characterization data for all compounds not described in the Experimental section, and computational data (Cartesian coordinates, absolute energies, IR, 1H and 13C NMR) for 20a?c, 21a?b, 22aA?F and 22aB dimer. See http://www.rsc.org/suppdata/ob/b3/b317099c/
✍ Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 496 KB
Electrophilic and oxidative chemistry of
Electrophilic and oxidative chemistry of pyrene and its non-alternant isomers: theoretical (DFT, GIAO-NMR, NICS) study of protonation carbocations and oxidation dications from pyrene, azupyrene (dicyclopenta[ef,kl]heptalene) and dicyclohepta[ed,gh]pentaleneElectronic supplementary information (ESI) available: Table S1: Electronic energies (E), zero point energies (ZPE) and Gibbs free energies (G) obtained from DFT calculations for the studied molecules and cations at B3LYP/6-31G(d) level. Figs. S1, S8 and S10 and Tables S2?S14: Optimized structures and Cartesian coordinates for 1, 1aH+, 1bH22+, 12+, 2, 2aH+, 2aH22+, 22+, 3, 3cH+, 3eH22+ and 32+. Figs. S2, S3 and S4: Computed 13C NMR chemical shifts and NPA-derived charges for 1aH+, 122+ and 12+. Fig. S5: Experimental 13C NMR chemical shifts for 1aH+ and 12+. Figs. S6, S7, and S12: HOMO?LUMO forms in the oxidation dications. Figs. S9 and S11: Bond-lengths in X-ray derived and computed structures for 2 and 3. See http://www.rsc.org/suppdata/ob/b4/b405009f/
✍ Okazaki, Takao; Laali, Kenneth K. 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 409 KB