𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Quinolizine-2,4-diones by reversible dimerisation 2-pyridylketenesElectronic supplementary information (ESI) available: figure of experimental (Ar matrix, 10 K) IR spectrum of 10b and calculated (B3LYP/6-31G*) IR spectra of s-cis- and s-trans-10b, and tables of Cartesian coordinates and calculated IR spectra of s-cis- and s-trans-10a,b, 2-(2-pyridyl)benzocyclobutenone, and hypothetical ylides 3 (Me and Ph in place of H). See http://www.rsc.org/suppdata/p1/b2/b202523j/

✍ Scribed by Plüg, Carsten; Kuhn, Arvid; Wentrup, Curt

Book ID
120311884
Publisher
Royal Society of Chemistry
Year
2002
Weight
100 KB
Volume
11
Category
Article
ISSN
1472-7781

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Acid?base equilibria of various oxidatio
Acid?base equilibria of various oxidation states of aqua?ruthenium complexes with 1,10-phenanthroline-5,6-dione in aqueous mediaElectronic supplementary information (ESI) available: 1H NMR spectrum of [1](ClO4)2 (Fig. S1), Cyclic voltammogram of [1](ClO4)2 (Fig. S2), pH dependent UV-vis spectra of [2](ClO4)2 (Fig. S3), and cyclic voltammograms of [2](ClO4)2 (Fig. S4). See http://www.rsc.org/suppdata/dt/b3/b312310c/
✍ Fujihara, Tetsuaki; Wada, Tohru; Tanaka, Koji 📂 Article 📅 2004 🏛 Royal Society of Chemistry 🌐 English ⚖ 273 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
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