Journal ArticleDOI
Anomeric effect, ring inversion, structural stability and vibrational assignments of 2-chloro-1,3,2-dioxaphospholane 2-oxide and 2-sulfide, c-C2H4O2PXCl (X is O or S)
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TLDR
The structural stability and ring inversion of 2-chloro-1,3,2-dioxaphospholane 2-oxide and 2-sulfide were investigated by the DFT-B3LYP and the ab initio MP2 calculations with 6-311+G ∗∗ basis set as discussed by the authors.About:
This article is published in Journal of Molecular Structure.The article was published on 2009-01-15. It has received 1 citations till now. The article focuses on the topics: Basis set & Antibonding molecular orbital.read more
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Photoelectron spectroscopy of some chlorinated phosphate esters
Igor Novak,Branka Kovač +1 more
TL;DR: In this paper, the electronic structures of 1,2-phenylenephosphochloridate and 2,2, 2-trichloro-1,3,2benzodioxaphosphole have been studied by HeI/HeII photoelectron spectroscopy (UPS) and Green's function calculations.
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Theoretical vibrational spectra of cyclohexanecarboxaldehyde
Wolfgang Förner,Hassan M. Badawi +1 more
TL;DR: In this article, the potential energy distributions among symmetry coordinates in each normal mode are presented and used to assign specific atomic movements to each of the modes, and the optimized energies of all the minima and of the transition states are presented.
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The vibrational spectra and molecular configuration of sulfolane
J.E. Katon,W.R. Feairheller +1 more
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Asymmetric hydroformylation of styrene using rhodium and platinum complexes of diphosphites containing chiral chelate backbones and chiral 1,3,2-dioxaphosphorinane moieties
TL;DR: Several chiral diphosphite ligands containing six stereogenic centers were synthesized and tested in order to study chiral cooperativity in the Rh- and Pt-catalysed asymmetric hydroformylation of styrene.
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Electronic structure and conformational properties of vinylphosphonic acid and some related derivatives
TL;DR: In this article, the electronic structure and conformational properties of vinylphosphonic acid, vinylphophosphoryl dichloride, and vinylphphosphine oxide have been studied by ab initio quantum mechanical methods.
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Synthesis and properties of 2-S-(N,N-dialkylamino)ethyl)thio-1,3,2-dioxaphosphorinane 2-oxide and of the corresponding quaternary derivatives as potential nontoxic antiglaucoma agents.
TL;DR: Values of the affinity and phosphorylation rate constants for this enzyme indicate that k' is responsible for the relatively low values of ki as compared with similar data for the open-chain analogues, O,O-diethyl phosphorothiolates (10(6) M-1 min-1).