The influence of metal coordination on ligand geometry: the structure of 2-(diphenylphosphino)acetophenone and bis(2-(diphenylphosphino)acetophenone)palladium(II)bistriflate
(2002) In Journal of Molecular Structure 606(1-3). p.51-59- Abstract
- The structures of 2(diphenylphosphino)acetophenone and bis(2(diphenyl phosphino)acetophenone)palladium(II)bistriflate have been determined by X-ray crystallography. The ligand is of interest because its P,O donor set combines the hard and soft properties. In the Pd-complex, which was prepared by treating tetrakisacetonitrile-palladium-bistriflate with 2-(diphenylphosphino)acetophenone in dichloromethane for 4 h at room temperature, the O-coordination provides a masked coordinative unsaturation. The ligand crystallises in the monoclinic space group P2(1)/c with cell dimensions a = 11.050(2), b = 16.052(3), c = 9.7082(19) Angstrom, beta = 109.58(3)degrees, V = 1622.4(6) Angstrom(3) and Z = 4, synchrotron radiation, lambda = 0.8520 Angstrom.... (More)
- The structures of 2(diphenylphosphino)acetophenone and bis(2(diphenyl phosphino)acetophenone)palladium(II)bistriflate have been determined by X-ray crystallography. The ligand is of interest because its P,O donor set combines the hard and soft properties. In the Pd-complex, which was prepared by treating tetrakisacetonitrile-palladium-bistriflate with 2-(diphenylphosphino)acetophenone in dichloromethane for 4 h at room temperature, the O-coordination provides a masked coordinative unsaturation. The ligand crystallises in the monoclinic space group P2(1)/c with cell dimensions a = 11.050(2), b = 16.052(3), c = 9.7082(19) Angstrom, beta = 109.58(3)degrees, V = 1622.4(6) Angstrom(3) and Z = 4, synchrotron radiation, lambda = 0.8520 Angstrom. The Pd-complex crystallises in the orthorhombic space group P2(1)2(1)2(1) with cell dimensions a = 11.867(2), b = 18.162(4), c = 19.603(4) Angstrom, V 4224 9(15) Angstrom(3) and Z = 4, MoKalpha radiation. Both structures were solved by direct methods and the refinements resulted in the R-values of 0.059 and 0.043, for the organic compound and the palladium compound, respectively. Two bi-dentate ligand binds to palladium(II) in a cis-configuration. The Pd-O distances are 2.060(3) and 2.096(2) Angstrom and the Pd-P distances 2.2290(10) and 2.2294(10) Angstrom, showing a large trans-influence of the phosphorus atoms. Half-normal probability plot analyses indicate that the s.u.'s are largely underestimated in the investigated structures. The bond-angles around the phosphorus atom and the orientation of the keto-substituted phenyl rings as well as the orientation of the keto-groups are highly affected by metal complexation. (Less)
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https://lup.lub.lu.se/record/342020
- author
- Johansson, Maria LU ; Andersson, Carlaxel LU and Oskarsson, Åke LU
- organization
- publishing date
- 2002
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- X-ray crystallography, palladium(II), half-normal probability plot, analysis
- in
- Journal of Molecular Structure
- volume
- 606
- issue
- 1-3
- pages
- 51 - 59
- publisher
- Elsevier
- external identifiers
-
- wos:000174334700006
- scopus:0037181393
- ISSN
- 0022-2860
- DOI
- 10.1016/S0022-2860(01)00861-4
- language
- English
- LU publication?
- yes
- id
- 8a02f0a6-5f03-497d-8307-ae7276f38fe3 (old id 342020)
- date added to LUP
- 2016-04-01 17:01:01
- date last changed
- 2022-01-28 23:44:49
@article{8a02f0a6-5f03-497d-8307-ae7276f38fe3,
abstract = {{The structures of 2(diphenylphosphino)acetophenone and bis(2(diphenyl phosphino)acetophenone)palladium(II)bistriflate have been determined by X-ray crystallography. The ligand is of interest because its P,O donor set combines the hard and soft properties. In the Pd-complex, which was prepared by treating tetrakisacetonitrile-palladium-bistriflate with 2-(diphenylphosphino)acetophenone in dichloromethane for 4 h at room temperature, the O-coordination provides a masked coordinative unsaturation. The ligand crystallises in the monoclinic space group P2(1)/c with cell dimensions a = 11.050(2), b = 16.052(3), c = 9.7082(19) Angstrom, beta = 109.58(3)degrees, V = 1622.4(6) Angstrom(3) and Z = 4, synchrotron radiation, lambda = 0.8520 Angstrom. The Pd-complex crystallises in the orthorhombic space group P2(1)2(1)2(1) with cell dimensions a = 11.867(2), b = 18.162(4), c = 19.603(4) Angstrom, V 4224 9(15) Angstrom(3) and Z = 4, MoKalpha radiation. Both structures were solved by direct methods and the refinements resulted in the R-values of 0.059 and 0.043, for the organic compound and the palladium compound, respectively. Two bi-dentate ligand binds to palladium(II) in a cis-configuration. The Pd-O distances are 2.060(3) and 2.096(2) Angstrom and the Pd-P distances 2.2290(10) and 2.2294(10) Angstrom, showing a large trans-influence of the phosphorus atoms. Half-normal probability plot analyses indicate that the s.u.'s are largely underestimated in the investigated structures. The bond-angles around the phosphorus atom and the orientation of the keto-substituted phenyl rings as well as the orientation of the keto-groups are highly affected by metal complexation.}},
author = {{Johansson, Maria and Andersson, Carlaxel and Oskarsson, Åke}},
issn = {{0022-2860}},
keywords = {{X-ray crystallography; palladium(II); half-normal probability plot; analysis}},
language = {{eng}},
number = {{1-3}},
pages = {{51--59}},
publisher = {{Elsevier}},
series = {{Journal of Molecular Structure}},
title = {{The influence of metal coordination on ligand geometry: the structure of 2-(diphenylphosphino)acetophenone and bis(2-(diphenylphosphino)acetophenone)palladium(II)bistriflate}},
url = {{http://dx.doi.org/10.1016/S0022-2860(01)00861-4}},
doi = {{10.1016/S0022-2860(01)00861-4}},
volume = {{606}},
year = {{2002}},
}