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<div class="csl-entry">Glatz, M., Schröder-Holzhacker, C., Bichler, B., Stöger, B., Mereiter, K., Veiros, L. F., & Kirchner, K. (2016). Synthesis and characterization of cationic dicarbonyl Fe(II) PNP pincer complexes. <i>Monatshefte Für Chemie - Chemical Monthly</i>. https://doi.org/10.1007/s00706-016-1811-x</div>
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The final publication is available at Springer via <a href="https://doi.org/10.1007/s00706-016-1811-x" target="_blank">https://doi.org/10.1007/s00706-016-1811-x</a>.
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dc.description.abstract
In the present work, we have prepared a series of octahedral Fe(II) complexes of the type trans-[Fe(PNP)(CO)2Cl]+—PNP are tridentate pincer-type ligands based on 2,6-diaminopyridine. These complexes are formed irrespective of the size of the substituents at the phosphorus sites and whether cis-[Fe(PNP)(Cl2)(CO)] or trans-[Fe(PNP)(Cl2)(CO)] are reacted with CO in the presence of 1 equiv of silver salts. X-ray structures of representative complexes are presented. Based on simple bonding considerations the selective formation of trans-dicarbonyl Fe(II) complexes is unexpected. In fact, DFT calculations confirm that trans-dicarbonyl complexes are indeed thermodynamically disfavored over the respective cis-dicarbonyl compounds, but are favored for kinetic reasons.
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dc.description.sponsorship
Austrian Science Fund (FWF)
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dc.description.sponsorship
Fundação para a Ciência e a Tecnologia (FCT)
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dc.language
English
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dc.language.iso
en
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dc.publisher
Springer
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dc.relation.ispartof
Monatshefte für Chemie - Chemical Monthly
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dc.rights.uri
http://creativecommons.org/licenses/by/4.0/
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dc.subject
Iron complexes
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dc.subject
PNP pincer ligands
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dc.subject
Carbon monoxide
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dc.subject
DFT calculations
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dc.title
Synthesis and characterization of cationic dicarbonyl Fe(II) PNP pincer complexes
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dc.type
Article
en
dc.type
Artikel
de
dc.rights.license
Creative Commons Namensnennung 4.0 International
de
dc.rights.license
Creative Commons Attribution 4.0 International
en
dc.contributor.affiliation
TU Wien, Österreich
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dc.contributor.affiliation
Centro de Qu ́ımica Estrutural, Instituto Superior Te ́cnico, Universidade de Lisboa