✦ LIBER ✦

Acetylene-allene rearrangement of propargyl systems X—CH2—C≡CH (X = H, Me, NMe2, OMe, F, SMe): an ab initio study

✍ Scribed by V.B. Kobychev; N.M. Vitkovskaya; N.S. Klyba; B.A. Trofimov

Book ID: 110345020
Publisher: Springer
Year: 2002
Tongue: English
Weight: 391 KB
Volume: 51
Category: Article
ISSN: 1573-9171
DOI: 10.1023/a:1016068313892

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Ab initio studies of the 1,2-rearrangeme

Ab initio studies of the 1,2-rearrangements of alkylidenecarbenes XYC = C: (X, Y = Cl, H, Me and F)

✍ Wang Bing-Ze; Deng Cong-Hao 📂 Article 📅 1988 🏛 John Wiley and Sons 🌐 English ⚖ 284 KB

Ab Initio Study on the Effects of the Su

Ab Initio Study on the Effects of the Substituent and the Functional Group on the Isomerization of H 3 CC(X)Y and H 2 C(X)CHY (Y = SiH 2 , PH, S; X = H, CH 3 , NH 2 , OH, F)

✍ Chuang, Chi-Hsiang; Lien, Min-Hsiung 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 222 KB

Formation of Three C 4 H 3 N Isomers fro

Formation of Three C 4 H 3 N Isomers from the Reaction of CN (X 2 Σ + ) with Allene, H 2 CCCH 2 (X 1 A 1 ), and Methylacetylene, CH 3 CCH (X 1 A 1 ): A Combined Crossed Beam and Ab Initio Study

✍ Balucani, N.; Asvany, O.; Kaiser, R.-I.; Osamura, Y. 📂 Article 📅 2002 🏛 American Chemical Society 🌐 English ⚖ 346 KB

π-Bond vs. Agostic Interaction in Three-

π-Bond vs. Agostic Interaction in Three-Coordinated Alkoxy and Thiolate Derivatives of Aluminium, Boron and Cationic Carbon – An ab initio Study of H2X–YR Systems (X = Al, B, C+; Y = O, S; R = H, CH3)

✍ Isabelle Demachy; François Volatron 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 361 KB 👁 1 views

Rotational barriers and π conjugation effects have been SCH 3 species. An acute B-S-C angle (69.6°) is found, thus evidencing a direct H•••B agostic interaction with a four-studied in H 2 X-YR systems (X = Al, B; Y = O, S; R = H, CH 3 ) by means of ab initio calculations at the MP4/6-311G\*\*// memb