.pi. Complexes as reaction intermediates

Banthorpe, D. V.

doi:10.1021/cr60265a001

Cited by 88 publications

(30 citation statements)

References 33 publications

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“…A modified procedure of Banthorpe's synthesis (15) was followed. The acid chlorides of myristic acid (CI3H27COOH), palmitic acid (C15H3,COOH), and stearic acid (C17H3&OOH) were prepared by refluxing an excess of thionyl chloride (SOCl2) with the acid on a water bath and distilling off the unreacted SOC12.…”

Section: Routementioning

confidence: 99%

Solvent Extraction of Gallium (III) from Basic Sodium Aluminate Solution by Alkanoyl Oxines

Filik

Apak

1994

Separation Science and Technology

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Alkanoyl oxines have been used for the extraction of gallium from basic solution, especially for the selective recovery of gallium in the presence of excess aluminum from Bayer process sodium aluminate liquor. 5-Alkanoyl-8-hydroxyquinolines (R.CO.Ox), where R is the alkyl group C13H27 (myristoyl), C I~H~~ (palmitoyl), and C17H35 (stearoyl) were synthesized by the Fries rearrangement from the corresponding acid chloride and sodium oxinate using AlC13 as catalyst. The synthesized alkanoyl oxines were capable of extracting Ga into kerosene or chloroform at a pH around 13; the selectivity of Ga over Al was high at this pH. The extracted Ga could be stripped into the aqueous phase acidified with HCI without significant loss of the ligand. The extractability of Ga was studied as a function of pH, temperature, time, metal concentration, phase separation acid (undecanol) concentration; and the strippability as a function of HCI concentration. Based on these results, a sequential procedure for the selective separation of Ga from alkaline Bayer process liquor has been developed.

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Section: Routementioning

confidence: 99%

Solvent Extraction of Gallium (III) from Basic Sodium Aluminate Solution by Alkanoyl Oxines

Filik

Apak

1994

Separation Science and Technology

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“…(The MS-CASPT2 method 40,41 is also called multiconfiguration quasidegenerate perturbation theory. 42 ) Active space for the dimer is (8,8), and active spaces for HCN and FCl are (6,6) and (2,2), respectively. e Active space for the dimer is (10,10), and active spaces for H 2 O and FCl are (8,8) and (2,2), respectively.…”

Section: Introductionmentioning

confidence: 99%

“…42 ) Active space for the dimer is (8,8), and active spaces for HCN and FCl are (6,6) and (2,2), respectively. e Active space for the dimer is (10,10), and active spaces for H 2 O and FCl are (8,8) and (2,2), respectively. f Active space for the dimer is (10, 10), and active spaces for C 2 H 2 and FCl are (10,10) and (2,2), respectively.…”

Section: Introductionmentioning

confidence: 99%

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

Ghosh

Sonnenberger

Hoyer

et al. 2015

J. Chem. Theory Comput.

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The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.

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“…We then envisaged the formation of the syn diastereomers through the transition state TS-3 involving a possible arene-chlorine interaction. 47 To test this possibility, we have first examined the reaction of the electron-poor pentafluorobenzaldehyde with the allenylzinc derived from the 1-trimethylsilyl-pent-1-yne. The corresponding homopropargylic alcohol was then obtained with a low diastereomeric ratio of 52:48 (the stereochemistry of the major isomer has not been determined) comparable with that obtained with allenylzinc 13 excluding an interaction between the chlorine atom and the aromatic ring, i.e.…”

Section: Scheme 17 Scrambling Experimentsmentioning

confidence: 99%

Highly Diastereoselective Syntheses of Propargylic Acid and Homopropargylic Systems

Ferreira¹,

Denichoux²,

Chemla³

et al. 2004

Synlett

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The results of our research dealing with the stereoselective synthesis of propargylic and homopropargylic systems are summarized. In a first part, the stereoselective formation of syn-or anti-disubstituted homopropargylic alcohols from acetylenic oxiranes through S N 2 or double S N 2¢ has been developed. Thus, the two diastereomers of a given homopropargylic alcohol are stereospecifically available. The great impact of Lewis acid activation on the regioselectivity of the ring-opening reactions of propargylic oxiranes is also detailed. In a second part, the preparation and uses of new acetylenic/allenic carbenoids are overviewed; their reactivity towards carbonyl compounds and imines is examined, leading to the highly stereoselective synthesis of acetylenic chlorohydrins, oxiranes and aziridines.

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.pi. Complexes as reaction intermediates

Cited by 88 publications

References 33 publications

Solvent Extraction of Gallium (III) from Basic Sodium Aluminate Solution by Alkanoyl Oxines

Solvent Extraction of Gallium (III) from Basic Sodium Aluminate Solution by Alkanoyl Oxines

Multiconfiguration Pair-Density Functional Theory Outperforms Kohn–Sham Density Functional Theory and Multireference Perturbation Theory for Ground-State and Excited-State Charge Transfer

Highly Diastereoselective Syntheses of Propargylic Acid and Homopropargylic Systems

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