Skip navigation
Skip navigation
A change is coming. Click to see a sneak peek of the new Open Research Repository.

Theoretical studies on the insertions of unsymmetrical alkynes into the metal�carbon bond of phosphanickelacycles: electronic factors.

Request a Copy

link to publisher version

  • Altmetric Citations

Macgregor, Stuart A; Wenger, Eric

Description

Density functional calculations have been employed to study the insertion reactions of alkynes (RC≡CR′: R = H, R′ = H, Me, CF3, Ph; R = Me, R′ = Ph; R = CO2H, R′ = H, Me, CF3, Ph) with the model phosphanickelacycle [NiBr(CH=CHCH2PH2-kC,P)(PH3)].

dc.contributor.authorMacgregor, Stuart A
dc.contributor.authorWenger, Eric
dc.date.accessioned2015-12-13T22:22:55Z
dc.identifier.issn0276-7333
dc.identifier.urihttp://hdl.handle.net/1885/72515
dc.description.abstractDensity functional calculations have been employed to study the insertion reactions of alkynes (RC≡CR′: R = H, R′ = H, Me, CF3, Ph; R = Me, R′ = Ph; R = CO2H, R′ = H, Me, CF3, Ph) with the model phosphanickelacycle [NiBr(CH=CHCH2PH2-kC,P)(PH3)].
dc.publisherAmerican Chemical Society
dc.sourceOrganometallics
dc.subjectKeywords: Chemical bonds; Isomers; Polarization; Probability density function; Reaction kinetics; Regioisomers; Organometallics
dc.titleTheoretical studies on the insertions of unsymmetrical alkynes into the metal�carbon bond of phosphanickelacycles: electronic factors.
dc.typeJournal article
local.description.notesImported from ARIES
local.description.refereedYes
local.identifier.citationvolume21
dc.date.issued2002
local.identifier.absfor039904 - Organometallic Chemistry
local.identifier.ariespublicationMigratedxPub3286
local.type.statusPublished Version
local.contributor.affiliationMacgregor, Stuart A, Heriot-Watt University
local.contributor.affiliationWenger, Eric, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.startpage1278
local.bibliographicCitation.lastpage1289
local.identifier.doi10.1021/om010795y
dc.date.updated2015-12-11T08:01:19Z
local.identifier.scopusID2-s2.0-0038054236
CollectionsANU Research Publications

Download

File Description SizeFormat Image
01_Macgregor_Theoretical_studies_on_the_2002.pdf210.75 kBAdobe PDF    Request a copy
Show simple item record


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

Updated:  17 November 2022/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator