Publication

Direct observation of an equilibrium between two anion-cation orientations in olefin Pt(II) complex ion pairs by HOESY NMR spectroscopy

2003
Journal Articles

Abstract

The soln. structure of the two intimate ion pairs present in soln. for [PtMe(h2-olefin)(a-diimine)]BF4 compds. (1-3, shown as I.BF4, R = Ph, 4-MeC6H4, 4-CF3C6H4) their relative abundance and the consequent thermodn. equil. parameters were detd. by a quant. detection of H...F interionic dipolar interactions in the 19F,1H-HOESY NMR spectra. The tetrafluoroborate anion predominantly occupies the lower position relative to central chelate ring of I, being syn- to the R substituent of the alkene ligand (pseudo-cis, PC position). The possible reasons of domination of PC position of the anion are discussed with data of DFT and mixed quantum mechanics/mol. mechanics (QM/MM) calcns. for 1-3 and previously investigated I, R = Me (4). [on SciFinder (R)]

Official source

https://infoscience.epfl.ch/entities/publication/c0b85985-f306-4776-add8-60a5682fb22f

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2003
Journal Articles

Abstract

Official source

https://infoscience.epfl.ch/entities/publication/c0b85985-f306-4776-add8-60a5682fb22f

About this result

Related concepts (32)

Alkene

In organic chemistry, an alkene is a hydrocarbon containing a carbon–carbon double bond. The double bond may be internal or in the terminal position. Terminal alkenes are also known as α-olefins. The International Union of Pure and Applied Chemistry (IUPAC) recommends using the name "alkene" only for acyclic hydrocarbons with just one double bond; alkadiene, alkatriene, etc., or polyene for acyclic hydrocarbons with two or more double bonds; cycloalkene, cycloalkadiene, etc.

Ligand

In coordination chemistry, a ligand is an ion or molecule with a functional group that binds to a central metal atom to form a coordination complex. The bonding with the metal generally involves formal donation of one or more of the ligand's electron pairs, often through Lewis bases. The nature of metal–ligand bonding can range from covalent to ionic. Furthermore, the metal–ligand bond order can range from one to three. Ligands are viewed as Lewis bases, although rare cases are known to involve Lewis acidic "ligands".

Transition metal alkene complex

In organometallic chemistry, a transition metal alkene complex is a coordination compound containing one or more alkene ligands. The inventory is large. Such compounds are intermediates in many catalytic reactions that convert alkenes to other organic products. The simplest monoalkene is ethene. Many complexes of ethene are known, including Zeise's salt (see figure), Rh2Cl2(C2H4)4, Cp*2Ti(C2H4), and the homoleptic Ni(C2H4)3. Substituted monoalkene include the cyclic cyclooctene, as found in chlorobis(cyclooctene)rhodium dimer.

Related publications (6)

Direct observation of an equilibrium between two anion-cation orientations in olefin Pt(II) complex ion pairs by HOESY NMR spectroscopy

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Advancing multiscale simulations with applications to transition metal based compounds in biological systems

Mesh d-refinement An efficient data-driven computational framework

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Direct observation of an equilibrium between two anion-cation orientations in olefin Pt(II) complex ion pairs by HOESY NMR spectroscopy

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Advancing multiscale simulations with applications to transition metal based compounds in biological systems

Mesh d-refinement​ An efficient data-driven computational framework

Deciphering Three Beneficial Effects of 2,2 '-Bipyridine-N,N '-Dioxide on the Luminescence Sensitization of Lanthanide(III) Hexafluoroacetylacetonate Ternary Complexes

Mesh d-refinement An efficient data-driven computational framework