Syntheses and crystal and molecular structures of hexaaquaruthenium(II) p-toluenesulfonate and hexaaquaruthenium(III) p-toluenesulfonate, [Ru(H2O)6](C7H7SO3)2 and [Ru(H2O)6](C7H7SO3)3.3H2O

Bernhard, Paul; Buergi, H. B.; Häuser, J.; Lehmann, H.; Lüdi, A.

doi:10.1021/ic00141a016

Cited by 130 publications

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“…The predicted bond-length change upon reduction of the metal ion A R = 0.086 A is i n good accord with the observed A R = 0.093 A. It has been argued that the different bond-length change for the hexaaqua and hexaamine complexes when the ruthenium oxidation state is changed is due to rr interaction in the case of H 2 0 , which is not possible for the NH, ligands [18,191. The rr back-bonding effect should be manifested by an increase of the Mulliken charge of the metal ion.…”

Section: International Journal Of Quantum Chemistrysupporting

confidence: 74%

Basis set and correlation effects on geometry of octahedral second-row transition-metal complexes

Broo

1996

Int. J. Quantum Chem.

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mAn extensive investigation of the basis-set effect on the predicted geometry of the redox pair [ R U ( N H~)~]~+ /~+ is presented. Basis sets where the core electrons have been replaced with a relativistic core potential as well as all-electron basis sets were tested. Best agreement with observations was obtained with the all-electron basis set MIDI augmented with a set of f-type polarization functions on the metal center. Other properties such as the vibration spectrum, the relative energy of the high-spin and low-spin states, and geometry changes upon oxidation/reduction of the central metal are discussed. The importance of electron correlation on the predicted geometry was estimated at the MP2, MP3, MP4(SDQ), CCSD, and CCSD(T) levels of theory. The MIDI( f) basis set is then used for other octahedral second-row transition-metal complexes and some other related complexes. The electronic spectrum of [Ru(NH~)~]'+ is also calculated using two different CI computational schemes. Surprisingly good agreement between the predicted electronic spectrum and the observed spectrum are obtained using one of the CI computational schemes.

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Section: International Journal Of Quantum Chemistrysupporting

confidence: 74%

Basis set and correlation effects on geometry of octahedral second-row transition-metal complexes

Broo

1996

Int. J. Quantum Chem.

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“…The synthesis of [Ru(H 2 O) 6 ](OTf) 2 is itself a threestep procedure including the distillation of the toxic RuO 4 . [21] The isolated yields obtained by our one-step procedure are similar to the more complicated protocols and vary from 35% (5, 10) to 80% (8), relative to ruthenium (Table 1) addition of arene or Cp*H is indicated by the rapid colour change of the ethanolic solution from cherry red to dark blue. The excessive Zn may also act as a quencher of HCl after the subsequent reduction of the η 6 -arene, Cp*H, and NaPF 6 , as suggested by Salzer et al [22] The [RuCp*] ϩ sandwich complexes of the electron-rich arenes 3Ϫ8 (entries 1Ϫ6) were prepared in order to establish the synthetic route.…”

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confidence: 58%

One‐Step Preparation of [RuCp*(η⁶‐arene)]⁺ Sandwich Complexes

Schmid¹,

Piotrowski²,

Lindel³

2003

Eur J Inorg Chem

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In a single step, several variously functionalized [RuCp*(η6‐arene)]+ sandwich complexes have been prepared starting from RuCl3·xH2O in yields ranging from 35 to 80%, referring to ruthenium. The protocol covers the preparation of valuable [RuCp*]+‐complexed amino acids. In comparative experiments starting from the oligomer [RuCp*Cl2]n and using methanol/methanolate as the reducing agent, the formation of undesired side products was observed, resulting from nucleophilic substitution at the o‐chloroanisole complex and from methoxylation of the Cp* ligand. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2003)

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“…[8][9][10] No aqua ions of technetium are synthetically accessible so far. However, polarographic studies in solution at low concentrations indicate that Tc 3+ (aq) should exist.…”

Section: +mentioning

confidence: 99%

The Chemistry of Technetium–Water Complexes within the Manganese Triad: Challenges and Perspectives

Alberto

2008

Eur J Inorg Chem

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The chemistry of technetium is essentially driven by radiopharmaceutical applications. These comprise the syntheses of novel complexes but, moreover, the combination of targeting biomolecules with metal complexes. Aqua ions are especially convenient for facilitatating the introduction of metal cations into biomolecules, but are nonexistent for Tc and Re in the Mn triad. This microreview will discuss the chemistry of those Tc complexes that contain H2O as ligands. Special attention will be payed to organometallic aqua ions, i.e. complexes that are typically organometallic with water as ligand. Of particular interest is the coordination chemistry of [M(OH2)3(CO)3]+ (M = Mn, Tc, Re) complexes in water since it is the origin of the widely applied radiopharmaceutical research with 99mTc and 188Re. The chemistry of organometallic aqua ions is not confined to Werner‐type ligands, hence, a further emphasis will be placed on pure organometallic chemistry in water.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)

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Syntheses and crystal and molecular structures of hexaaquaruthenium(II) p-toluenesulfonate and hexaaquaruthenium(III) p-toluenesulfonate, [Ru(H2O)6](C7H7SO3)2 and [Ru(H2O)6](C7H7SO3)3.3H2O

Abstract: Hexaaquo‐Ru(II)‐p‐toluolsulfonat (Ausb. 50‐60% ) wird aus einer durch Reduktion einer RuO4‐Lösung mit metallischem Pb erhaltenen wäßrigen Lösung des Kations mittels Ionenaustauscher gebildet und isoliert.

Cited by 130 publications

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Basis set and correlation effects on geometry of octahedral second-row transition-metal complexes

Basis set and correlation effects on geometry of octahedral second-row transition-metal complexes

One‐Step Preparation of [RuCp*(η⁶‐arene)]⁺ Sandwich Complexes

The Chemistry of Technetium–Water Complexes within the Manganese Triad: Challenges and Perspectives

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Syntheses and crystal and molecular structures of hexaaquaruthenium(II) p-toluenesulfonate and hexaaquaruthenium(III) p-toluenesulfonate, [Ru(H2O)6](C7H7SO3)2 and [Ru(H2O)6](C7H7SO3)3.3H2O

Abstract: Hexaaquo‐Ru(II)‐p‐toluolsulfonat (Ausb. 50‐60% ) wird aus einer durch Reduktion einer RuO4‐Lösung mit metallischem Pb erhaltenen wäßrigen Lösung des Kations mittels Ionenaustauscher gebildet und isoliert.

Cited by 130 publications

References 0 publications

Basis set and correlation effects on geometry of octahedral second-row transition-metal complexes

Basis set and correlation effects on geometry of octahedral second-row transition-metal complexes

One‐Step Preparation of [RuCp*(η6‐arene)]+ Sandwich Complexes

The Chemistry of Technetium–Water Complexes within the Manganese Triad: Challenges and Perspectives

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Product

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One‐Step Preparation of [RuCp*(η⁶‐arene)]⁺ Sandwich Complexes