Skip navigation
Skip navigation

Singlet-triplet splittings and barriers to Wolff rearrangement for carbonyl carbenes

Scott, Anthony; Platz, M; Radom, Leo

Description

High-level ab initio calculations at the G3(MP2)//B3-LYP level have been used to study carbomethoxychlorocarbene and related halogenocarbenes and carbonyl carbenes. Initial calculations at the more accurate W1′ level on the subset CH2, HCCl, HCF, CCl2,

CollectionsANU Research Publications
Date published: 2001
Type: Journal article
URI: http://hdl.handle.net/1885/92754
Source: Journal of the American Chemical Society
DOI: 10.1021/ja004236e

Download

File Description SizeFormat Image
01_Scott_Singlet-triplet_splittings_and_2001.pdf85.27 kBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  20 July 2017/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator