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- Ahlquist, MårtenKTH,Teoretisk kemi och biologi (author)
Dispersion and Back-Donation Gives Tetracoordinate [Pd(PPh3)4]
- Article/chapterEnglish2011
Publisher, publication year, extent ...
- 2011-10-13
- Wiley,2011
- printrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:kth-74374
- https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-74374URI
- https://doi.org/10.1002/anie.201105928DOI
- https://gup.ub.gu.se/publication/149173URI
Supplementary language notes
- Language:English
- Summary in:English
Part of subdatabase
- SwePubSwePub
Classification
Notes
- QC 20120207
- 18e R.I.P. The apparent compliance of [Pd(PPh3)4] ("tetrakis") with the 18-electron rule is not due to an electronic preference on the central metal. Pd is valence-saturated already by two ligands. Further ligand addition gives a minor energy gain, and is only possible due to strong back-bonding. Dispersion corrections are needed for properly describing the interactions between the ligands.
Subject headings and genre
- NATURVETENSKAP Kemi Teoretisk kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences Theoretical Chemistry hsv//eng
- NATURVETENSKAP Kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences hsv//eng
- 18-electron rule
- density functional theory
- dispersion interactions
- ligand dissociation
- palladium
Added entries (persons, corporate bodies, meetings, titles ...)
- Norrby, Per-OlaGothenburg University,Göteborgs universitet,Institutionen för kemi,Department of Chemistry(Swepub:gu)xnorrp (author)
- KTHTeoretisk kemi och biologi (creator_code:org_t)
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- In:Angewandte Chemie International Edition: Wiley50:49, s. 11794-117971433-78511521-3773
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