𝔖 Bobbio Scriptorium

✦ LIBER ✦

[1.1]Paracyclophane. Photochemical Generation from the Corresponding Bis(Dewar benzene) Derivative and Theoretical Study of Its Structure and Strain Energy

✍ Scribed by Tsuji, Takashi; Ohkita, Masakazu; Konno, Tomohisa; Nishida, Shinya

Book ID: 127234198
Publisher: American Chemical Society
Year: 1997
Tongue: English
Weight: 342 KB
Volume: 119
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja9715253

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

High energy density compounds from cyclo

High energy density compounds from cyclophosphazene. II. The preparation, structural characterization, and theoretical studies of 1,1-spiro(ethylenediamino)-3,3,5,5-tetrachlorocyclotriphosphazene and its nitration product

✍ Jian-Guo Zhang; Hui-Hui Zheng; Yu-Gang Bi; Tong-Lai Zhang; Li Yang; Li-Na Feng 📂 Article 📅 2008 🏛 Springer 🌐 English ⚖ 379 KB

An electrical conductivity study of a cy

An electrical conductivity study of a cyano-substituted polyamide and of the corresponding diamide derived from 1,4-bis(2-cyano-2-carboxyvinyl)benzene: the effect of pyrolysis temperature and pyrolysis duration

✍ Christoforos A. Krontiras; Michael N. Pisanias; Stavroula N. Georga; John A. Mik 📂 Article 📅 1995 🏛 Elsevier Science 🌐 English ⚖ 650 KB

ChemInform Abstract: Photochemical Gener

ChemInform Abstract: Photochemical Generation of Bicyclo(4.2.2.)decapentaene from (4.2.2.) Propellatetraene. Experimental and Theoretical Study of the π-Bond- Shift Isomers of Bicyclo(4.2.2)decapentaene, (4)Paracyclophane-1,3- diene, and 1,6-Ethenocycloocta-1,3,5,7-tetraene.

✍ T. TSUJI; S. NISHIDA; M. OKUYAMA; E. OSAWA 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 39 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