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Trans/cis isomerization of [RuCl2{H2C=C(CH2PPh2)2)}(diamine)] complexes : Synthesis, spectral, crystal structure and DFT calculations and catalytic activity in the hydrogenation of α,β-unsaturated ketones

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2014

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Warad, Ismail
Al-Noaimi, Mousa
Awwadi, Firas F.
Hammouti, Belkheir
Hadda, Taibi B.

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https://doi.org/10.1016/j.saa.2013.08.030
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Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy. 2014, 117, pp. 250-258. ISSN 1386-1425. eISSN 1873-3557. Available under: doi: 10.1016/j.saa.2013.08.030

Zusammenfassung

Three complexes of the general formula trans/cis-[Ru(II)(dppme)(N-N)Cl2] {dppme is H2C=C(CH2PPh2)2 and N-N is 1,2-diaminocyclohexane (trans/cis-(1)) and 1-methyl-1,2-diaminopropane (trans-(2)} were obtained by reacting trans-[RuCl2(dppme)2] with an excess amount of corresponding diamine in CH2Cl2 as a solvent. The complexes were characterized by an elemental analysis, IR, 1H, 13C and 31P{1H} NMR, FAB-MS and UV–visible. The trans-(1) (kinetic product) readily isomerizes to the cis-(1) (thermodynamic product) and this process was followed by using 31P{1H} NMR, cyclic voltammetry and UV–vis spectroscopy. The electrochemical studies on complex (1) reveal that the Ru(III)/Ru(II) couples are sensitive to the isomer (trans/cis) formed. The cis-(1) was confirmed by X-ray structure and 31P{1H} NMR. Transfer-hydrogenation reactions for reduction of trans-4-phenyl-3-butene-2-one were conducted using complexes trans/cis-(1) and trans-(2). The electronic spectra of cis/trans-(1) in dichloromethane were calculated with the use of time-dependent DFT methods.

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540 Chemie

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Ruthenium(II), Diphosphine, Diamine, Electrochemistry, Isomerization, Hydrogenation

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ISO 690WARAD, Ismail, Mousa AL-NOAIMI, Obadah S. ABDEL-RAHMAN, Firas F. AWWADI, Belkheir HAMMOUTI, Taibi B. HADDA, 2014. Trans/cis isomerization of [RuCl2{H2C=C(CH2PPh2)2)}(diamine)] complexes : Synthesis, spectral, crystal structure and DFT calculations and catalytic activity in the hydrogenation of α,β-unsaturated ketones. In: Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy. 2014, 117, pp. 250-258. ISSN 1386-1425. eISSN 1873-3557. Available under: doi: 10.1016/j.saa.2013.08.030
BibTex
@article{Warad2014Trans-30494,
  year={2014},
  doi={10.1016/j.saa.2013.08.030},
  title={Trans/cis isomerization of [RuCl<sub>2</sub>{H<sub>2</sub>C=C(CH<sub>2</sub>PPh<sub>2</sub>)<sub>2</sub>)}(diamine)] complexes : Synthesis, spectral, crystal structure and DFT calculations and catalytic activity in the hydrogenation of α,β-unsaturated ketones},
  volume={117},
  issn={1386-1425},
  journal={Spectrochimica Acta Part A : Molecular and Biomolecular Spectroscopy},
  pages={250--258},
  author={Warad, Ismail and Al-Noaimi, Mousa and Abdel-Rahman, Obadah S. and Awwadi, Firas F. and Hammouti, Belkheir and Hadda, Taibi B.}
}
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    <dcterms:abstract xml:lang="eng">Three complexes of the general formula trans/cis-[Ru&lt;sup&gt;(II)&lt;/sup&gt;(dppme)(N-N)Cl&lt;sub&gt;2&lt;/sub&gt;] {dppme is H&lt;sub&gt;2&lt;/sub&gt;C=C(CH&lt;sub&gt;2&lt;/sub&gt;PPh&lt;sub&gt;2&lt;/sub&gt;)&lt;sub&gt;2&lt;/sub&gt; and N-N is 1,2-diaminocyclohexane (trans/cis-(1)) and 1-methyl-1,2-diaminopropane (trans-(2)} were obtained by reacting trans-[RuCl&lt;sub&gt;2&lt;/sub&gt;(dppme)&lt;sub&gt;2&lt;/sub&gt;] with an excess amount of corresponding diamine in CH&lt;sub&gt;2&lt;/sub&gt;Cl&lt;sub&gt;2&lt;/sub&gt; as a solvent. The complexes were characterized by an elemental analysis, IR, &lt;sup&gt;1&lt;/sup&gt;H, &lt;sup&gt;13&lt;/sup&gt;C and &lt;sup&gt;31&lt;/sup&gt;P{1H} NMR, FAB-MS and UV–visible. The trans-(1) (kinetic product) readily isomerizes to the cis-(1) (thermodynamic product) and this process was followed by using &lt;sup&gt;31&lt;/sup&gt;P{&lt;sup&gt;1&lt;/sup&gt;H} NMR, cyclic voltammetry and UV–vis spectroscopy. The electrochemical studies on complex (1) reveal that the Ru(III)/Ru(II) couples are sensitive to the isomer (trans/cis) formed. The cis-(1) was confirmed by X-ray structure and &lt;sup&gt;31&lt;/sup&gt;P{&lt;sup&gt;1&lt;/sup&gt;H} NMR. Transfer-hydrogenation reactions for reduction of trans-4-phenyl-3-butene-2-one were conducted using complexes trans/cis-(1) and trans-(2). The electronic spectra of cis/trans-(1) in dichloromethane were calculated with the use of time-dependent DFT methods.</dcterms:abstract>
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