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17 results

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Page 1
Gold(I)-Catalyzed Haloalkynylation of Aryl Alkynes: Two Pathways, One Goal.
Kreuzahler M, Haberhauer G. Kreuzahler M, et al. Angew Chem Int Ed Engl. 2020 Jun 8;59(24):9433-9437. doi: 10.1002/anie.201916027. Epub 2020 Apr 6. Angew Chem Int Ed Engl. 2020. PMID: 32078231 Free PMC article.
Notably, quantum chemical calculations reveal an exceptional interplay between the place of the attack at the chloroacetylene: No matter which C-C bond is formed, the same enyne product is always formed. ...
Notably, quantum chemical calculations reveal an exceptional interplay between the place of the attack at the chloroacetylene: No mat …
Rotatory Response of Molecular Electron Momentum Densities in Linear, Homogeneous Weak Electric Fields: A Topographical Analysis.
Paul M, Pathak RK, Pananghat B. Paul M, et al. J Phys Chem A. 2020 Feb 6;124(5):943-954. doi: 10.1021/acs.jpca.9b11356. Epub 2020 Jan 24. J Phys Chem A. 2020. PMID: 31877045
EMDs and ESPs were used to understand the response of water, hydrogen fluoride, carbon monoxide, chloroacetylene, and ammonia in an electric field. Remarkably, the EMD maxima for these molecules get rotated as the electric field strength is varied. ...
EMDs and ESPs were used to understand the response of water, hydrogen fluoride, carbon monoxide, chloroacetylene, and ammonia in an e …
One-step synthesis of triethynylvinylmethanes and tetraethynylmethanes by GaCl(3)-promoted diethynylation of 1,4-enynes and 1,4-diynes.
Amemiya R, Suwa K, Toriyama J, Nishimura Y, Yamaguchi M. Amemiya R, et al. J Am Chem Soc. 2005 Jun 15;127(23):8252-3. doi: 10.1021/ja051416l. J Am Chem Soc. 2005. PMID: 15941236
The reaction should involve the initial formation of allylgallium from the enynes and GaCl3, where GaCl3 activated hydrocarbon C-H to generate a nucleophilic organogallium intermediate. Carbometalation with chloroacetylene followed by beta-elimination then led to the ethyn …
The reaction should involve the initial formation of allylgallium from the enynes and GaCl3, where GaCl3 activated hydrocarbon C-H to genera …
Highly Stereoselective Synthesis of Terminal Chloro-Substituted Propargylamines and Further Functionalization.
Jordan S, Starks SA, Whatley MF, Turlington M. Jordan S, et al. Org Lett. 2015 Oct 2;17(19):4842-5. doi: 10.1021/acs.orglett.5b02408. Org Lett. 2015. PMID: 26368832
The highly stereoselective addition of lithiated chloroacetylene, derived in situ from cis-1,2-dichloroethene and methyl lithium, to Ellman chiral N-tert-butanesulfinyl imines is reported. ...
The highly stereoselective addition of lithiated chloroacetylene, derived in situ from cis-1,2-dichloroethene and methyl lithium, to …
An improved transition-metal-free synthesis of aryl alkynyl sulfides via substitution of a halide at an sp-centre.
Chowdhury RM, Wilden JD. Chowdhury RM, et al. Org Biomol Chem. 2015 Jun 7;13(21):5859-61. doi: 10.1039/c5ob00494b. Org Biomol Chem. 2015. PMID: 25906042
A simple high-yielding preparation of aryl alkynyl sulfides is presented. The reaction of a chloroacetylene with a thiolate salt in the presence of an amine mediator (dimethylamine or N,N'-dimethylethylenediamine) yields the alkynyl sulfides in excellent yields. ...
A simple high-yielding preparation of aryl alkynyl sulfides is presented. The reaction of a chloroacetylene with a thiolate salt in t …
The Renner-Teller effect in HCCCl(+)(X̃(2)Π) studied by zero-kinetic energy photoelectron spectroscopy and ab initio calculations.
Sun W, Dai Z, Wang J, Mo Y. Sun W, et al. J Chem Phys. 2015 May 21;142(19):194304. doi: 10.1063/1.4919953. J Chem Phys. 2015. PMID: 26001458
The spin-vibronic energy levels of the chloroacetylene cation up to 4000 cm(-1) above the ground state have been measured using the one-photon zero-kinetic energy photoelectron spectroscopic method. ...
The spin-vibronic energy levels of the chloroacetylene cation up to 4000 cm(-1) above the ground state have been measured using the o …
Destruction of trichloroethylene during hydration of calcium oxide.
Ko JH, Musson S, Townsend T. Ko JH, et al. J Hazard Mater. 2010 Feb 15;174(1-3):876-9. doi: 10.1016/j.jhazmat.2009.09.043. Epub 2009 Sep 16. J Hazard Mater. 2010. PMID: 19800167
In the presence of air, the degradation of DCA resulted in the formation of perchloroethylene (PCE), hexachloro-1,3-butadiene (HCDE), and chloroacetylene (CA). The maximum amount of TCE degradation occurred with a CaO/H(2)O ratio of 1:1 in the presence of air. ...
In the presence of air, the degradation of DCA resulted in the formation of perchloroethylene (PCE), hexachloro-1,3-butadiene (HCDE), and …
Abiotic transformation of perchloroethylene in homogeneous dithionite solution and in suspensions of dithionite-treated clay minerals.
Nzengung VA, Castillo RM, Gates WP, Mills GL. Nzengung VA, et al. Environ Sci Technol. 2001 Jun 1;35(11):2244-51. doi: 10.1021/es001578b. Environ Sci Technol. 2001. PMID: 11414025
Transformation products of PCE identified in dosed dithionite-treated samples included TCE, DCE, 1,1,2-trichloroethane (TCA), 1,1-dichloroethane (DCA), chloroacetylene, acetylene, ethene, and ethane. The decomposition of dithionite to sulfate yielded both protons and elect …
Transformation products of PCE identified in dosed dithionite-treated samples included TCE, DCE, 1,1,2-trichloroethane (TCA), 1,1-dichloroet …
Role of hydrogen abstraction acetylene addition mechanisms in the formation of chlorinated naphthalenes. 1. A quantum chemical investigation.
McIntosh GJ, Russell DK. McIntosh GJ, et al. J Phys Chem A. 2014 Dec 26;118(51):12192-204. doi: 10.1021/jp508979u. Epub 2014 Dec 12. J Phys Chem A. 2014. PMID: 25419897
The addition of chloroacetylene or tetrachlorovinylacetylene to 2,4,5-trichlorophenyl radicals, leading to the formation of tetra-, penta-, and hexachloronaphthalene congeners, has been explored at the M06-2X/6-311+G(3df,3p)//B3LYP/6-31G(d) level of theory. ...
The addition of chloroacetylene or tetrachlorovinylacetylene to 2,4,5-trichlorophenyl radicals, leading to the formation of tetra-, p …
Understanding trichloroethylene chemisorption to iron surfaces using density functional theory.
Zhang N, Luo J, Blowers P, Farrell J. Zhang N, et al. Environ Sci Technol. 2008 Mar 15;42(6):2015-20. doi: 10.1021/es0717663. Environ Sci Technol. 2008. PMID: 18409630 Free PMC article.
The absence of chemisorption and scission of only two C--Cl bonds at the Cl-bridge site is consistent with experimental observations that trace amounts of chloroacetylene may also be produced from reactions of TCE with iron....
The absence of chemisorption and scission of only two C--Cl bonds at the Cl-bridge site is consistent with experimental observations that tr …
17 results