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  (Phosphanyloxazoline)palladium complexes, part I: (η3-1,3-Dialkylallyl)(phosphanyloxazoline)palladium complexes: X-Ray crystallographic studies, NMR investigations, and quantum-chemical calculations

Kollmar, M., Goldfuss, B., Reggelin, M., Rominger, F., & Helmchen, G. (2001). (Phosphanyloxazoline)palladium complexes, part I: (η3-1,3-Dialkylallyl)(phosphanyloxazoline)palladium complexes: X-Ray crystallographic studies, NMR investigations, and quantum-chemical calculations. Chemistry – A European Journal, 7(22), 4913-4927. doi:10.1002/1521-3765(20011119)7:22<4913:AID-CHEM4913>3.0.CO;2-7.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-F0F9-A Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0028-F106-4
Genre: Journal Article
Alternative Title : (Phosphanyloxazoline)palladium complexes, part I: (η3-1,3-Dialkylallyl)(phosphanyloxazoline)palladium complexes: X-Ray crystallographic studies, NMR investigations, and quantum-chemical calculations

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ChemistEurJ_7_2001_4913.pdf (Any fulltext), 363KB
 
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http://onlinelibrary.wiley.com/doi/10.1002/1521-3765%2820011119%297:22%3C4913::AID-CHEM4913%3E3.0.CO;2-7/pdf (Any fulltext)
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 Creators:
Kollmar, Martin1, Author           
Goldfuss, Bernd, Author
Reggelin, Michael, Author
Rominger, Frank, Author
Helmchen, Günter, Author
Affiliations:
1Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              

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Free keywords: ab initio calculations; allyl ligands; NMR spectroscopy; palladium; structure elucidation
 Abstract: A series of systematically varied (η3-1,3-dialkylallyl)palladium complexes of (4S)-[2-(2-diphenylphosphanyl)phenyl]-4,5-dihydrooxazole (PHOX) ligands were characterized by X-ray crystal structure analysis and NMR spectroscopy. Complexes with identical substituents in the 1,3-positions of the allyl group can form eight stereoisomers. In solution four to six isomers were observed and their conformations assigned with the aid of NOE experiments. The dynamic behavior of the complexes was analyzed. In addition, quantum-chemical calculations (restricted Hartree–Fock (HF), density functional theory (DFT)) were carried out and gave satisfactory agreement with experimental findings.

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Language(s): eng - English
 Dates: 2001-02-132001-11-19
 Publication Status: Issued
 Pages: 15
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 666210
DOI: 10.1002/1521-3765(20011119)7:22<4913::AID-CHEM4913>3.0.CO;2-7
URI: http://onlinelibrary.wiley.com/doi/10.1002/1521-3765%2820011119%297:22%3C4913::AID-CHEM4913%3E3.0.CO;2-7/abstract
URI: http://onlinelibrary.wiley.com/doi/10.1002/1521-3765%2820011119%297:22%3C4913::AID-CHEM4913%3E3.0.CO;2-7/full
Other: 4956
 Degree: -

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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
 Creator(s):
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Publ. Info: Weinheim, Germany : VCH Verlagsgesellschaft
Pages: - Volume / Issue: 7 (22) Sequence Number: - Start / End Page: 4913 - 4927 Identifier: ISSN: 0947-6539
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058