Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory

Authors
Bombasaro, JA Suvire, FD Chasse, GA Zamarbide, GN Estrada, MR
Citation
Ja. Bombasaro et al., Stereoelectronic effects and dynamic chirality in ethyl nitrite (Et-ONO) computed at the HF and DFT levels of theory, J MOL ST-TH, 548, 2001, pp. 39-46
Citations number
10
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
548
Year of publication
2001
Pages
39 - 46
Database
ISI
SICI code
0166-1280(20010730)548:<39:SEADCI>2.0.ZU;2-X
Abstract
The annihilation of the most extended conformer on the comformational poten tial energy surface of ethyl nitrite is studied and analyzed in terms of th e principles of stereoelectronic effects. The dynamic chirality of the proc hiral CH2 moiety in Me-CH2-ONO is investigated. (C) 2001 Elsevier Science B .V. All rights reserved.