The occurrence of cis or trans configurations in square planar diarylbis(DMSO)platinum(II) complexes with S-bonded DMSO ligands and aryl = 2,3,4,5,6-pentamethylphenyl, 2,4,6-trimethylphenyl, 2,6-dimethylphenyl, 2-, 3-, and 4-methylphenyl, and Ph has been investigated by multinuclear (1H, 13C, and 195Pt) NMR spectroscopy and crystal structure anal. Both methods confirm the cis configuration for complexes with the smaller Ph and methylphenyl (tolyl) ligands and the trans configuration for the compds. with the bulkier ligands, starting from 2,6-dimethylphenyl. Spectroscopic criteria could thus be established to identify configurational isomers. For the 2-tolyl complex an addnl. kind of isomerism arises from the relative orientation of the two Me substituents on the same side (syn) or on different sides of the coordination plane (anti). 2D-NMR spectroscopy allowed us to identify the conformers and to study isomerization mechanisms. DFT calcn. results agree well with the exptl. structures and with the spectroscopic data. on SciFinder(R)
%0 Journal Article
%1 Klein.2005
%A Klein, Axel
%A Schurr, Thilo
%A Knoedler, Axel
%A Gudat, Dietrich
%A Klinkhammer, Karl-Wilhelm
%A Jain, Vimal K.
%A Zalis, Stanislav
%A Kaim, Wolfgang.
%D 2005
%J Organometallics
%K DFT DMSO NMR NOESY aryl complex complex;diaryl complex;platinum conformer crystal dimethyl multinuclear platinum prepn spectra;mol structure sulfoxide
%N 17
%P 4125--4131
%R 10.1021/om050076
%T Multiple Isomerism (cis/trans; syn/anti) in (dmso)2Pt(aryl)2 Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation
%V 24
%X The occurrence of cis or trans configurations in square planar diarylbis(DMSO)platinum(II) complexes with S-bonded DMSO ligands and aryl = 2,3,4,5,6-pentamethylphenyl, 2,4,6-trimethylphenyl, 2,6-dimethylphenyl, 2-, 3-, and 4-methylphenyl, and Ph has been investigated by multinuclear (1H, 13C, and 195Pt) NMR spectroscopy and crystal structure anal. Both methods confirm the cis configuration for complexes with the smaller Ph and methylphenyl (tolyl) ligands and the trans configuration for the compds. with the bulkier ligands, starting from 2,6-dimethylphenyl. Spectroscopic criteria could thus be established to identify configurational isomers. For the 2-tolyl complex an addnl. kind of isomerism arises from the relative orientation of the two Me substituents on the same side (syn) or on different sides of the coordination plane (anti). 2D-NMR spectroscopy allowed us to identify the conformers and to study isomerization mechanisms. DFT calcn. results agree well with the exptl. structures and with the spectroscopic data. on SciFinder(R)
@article{Klein.2005,
abstract = {The occurrence of cis or trans configurations in square planar diarylbis(DMSO)platinum(II) complexes with S-bonded DMSO ligands and aryl = 2,3,4,5,6-pentamethylphenyl, 2,4,6-trimethylphenyl, 2,6-dimethylphenyl, 2-, 3-, and 4-methylphenyl, and Ph has been investigated by multinuclear (1H, 13C, and 195Pt) NMR spectroscopy and crystal structure anal. Both methods confirm the cis configuration for complexes with the smaller Ph and methylphenyl (tolyl) ligands and the trans configuration for the compds. with the bulkier ligands, starting from 2,6-dimethylphenyl. Spectroscopic criteria could thus be established to identify configurational isomers. For the 2-tolyl complex an addnl. kind of isomerism arises from the relative orientation of the two Me substituents on the same side (syn) or on different sides of the coordination plane (anti). 2D-NMR spectroscopy allowed us to identify the conformers and to study isomerization mechanisms. DFT calcn. results agree well with the exptl. structures and with the spectroscopic data. [on SciFinder(R)]},
added-at = {2018-08-09T10:59:25.000+0200},
author = {Klein, Axel and Schurr, Thilo and Knoedler, Axel and Gudat, Dietrich and Klinkhammer, Karl-Wilhelm and Jain, Vimal K. and Zalis, Stanislav and Kaim, Wolfgang.},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/26b2350a0685e35b430ad8c347c803563/galaktoze},
doi = {10.1021/om050076},
interhash = {19c820d26cc0ceff01a54b09ed09672a},
intrahash = {6b2350a0685e35b430ad8c347c803563},
issn = {0276-7333},
journal = {Organometallics},
keywords = {DFT DMSO NMR NOESY aryl complex complex;diaryl complex;platinum conformer crystal dimethyl multinuclear platinum prepn spectra;mol structure sulfoxide},
number = 17,
pages = {4125--4131},
timestamp = {2018-08-09T13:02:07.000+0200},
title = {Multiple Isomerism (cis/trans; syn/anti) in [(dmso)2Pt(aryl)2] Complexes: A Combined Structural, Spectroscopic, and Theoretical Investigation},
volume = 24,
year = 2005
}