✦ LIBER ✦

Structure and Tautomerism of Cyclopentadiene Derivatives: X. 1,5-Sigmatropic Shifts of the p-Nitrobenzyl Group in Tetramethyl 5-Methylcyclopentadienetetracarboxylate

✍ Scribed by I. E. Mikhailov; G. A. Dushenko; I. S. Nikishina; A. V. Kisin; V. I. Minkin

Book ID: 110422472
Publisher: SP MAIK Nauka/Interperiodica
Year: 2002
Tongue: English
Weight: 82 KB
Volume: 38
Category: Article
ISSN: 1070-4280
DOI: 10.1023/a:1022592018924

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Structure and Tautomerism of Cyclopentad

Structure and Tautomerism of Cyclopentadiene Derivatives. Part 10. 1,5-Sigmatropic Shifts of the p-Nitrobenzyl Group in Tetramethyl 5-Methylcyclopentadienetetracarboxylate.

✍ I. E. Mikhailov; G. A. Dushenko; I. S. Nikishina; A. V. Kisin; O. I. Mikhailova; 📂 Article 📅 2003 🏛 John Wiley and Sons ⚖ 90 KB 👁 1 views

Quantum-chemical investigation of struct

Quantum-chemical investigation of structure and reactivity of pyrazol-5-ones and their thio- and seleno-analogs: X. Solvent effect on the chemical shifts of nuclei in the molecules of 3-methylpyrazol-5-ones and 1-phenyl-3-methylchalcogenepyrazol-5-ones and characteristics of tautomeric equilibrium in these compounds

✍ G. A. Chmutova; E. R. Ismagilova; T. I. Madzhidov 📂 Article 📅 2009 🏛 Springer 🌐 English ⚖ 207 KB

X-ray crystal structures of 1,2,4-tri-O-

X-ray crystal structures of 1,2,4-tri-O-acetyl-5-deoxy-3-O-methyl-5-[(S)-phenylphosphinyl]-α-d-xylopyranose and its 5-[(S-phenylphosphinothioyl] derivative, and conformations of d-xylopyranose analogs having a C6H5P(R) group in the hemiacetal ring

✍ Thomas Richter; Peter Luger; Tadashi Hanaya; Hiroshi Yamamoto 📂 Article 📅 1991 🏛 Elsevier Science 🌐 English ⚖ 780 KB

X-ray crystallographic analyses are reported for the two title compounds (8 and 9), of which the former crystallized in two modifications (8n and 8b). In all three structures, the pyranose rings have the %, (D) conformation and the substituents at C-l are axial and those at C-24-4 are equatorial. Th

3-Hydroxypyrroles and 1H-pyrrol-3(2H)-on

3-Hydroxypyrroles and 1H-pyrrol-3(2H)-ones. Part 5. Tautomerism of 1-substituted and 1,2-disubstituted derivatives in the solid state and in solution: X-ray crystal and molecular structure of 1-phenyl-1H-pyrrol-3(2H)-one

✍ Blake, Alexander J.; McNab, Hamish; Monahan, Lilian C. 📂 Article 📅 1988 🏛 Royal Society of Chemistry 🌐 English ⚖ 472 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