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Showing results for thiocarbene
Your search for thiocarbin retrieved no results
Nucleophilic substitution in ionizable Fischer thiocarbene complexes: steric effect of the alkyl substituent on the heteroatom.
Andrada DM, Zoloff Michoff ME, de Rossi RH, Granados AM. Andrada DM, et al. Dalton Trans. 2015 Mar 28;44(12):5520-34. doi: 10.1039/c4dt03618b. Dalton Trans. 2015. PMID: 25698135
A detailed kinetic study has been carried out for the aminolysis of ionizable Fischer thiocarbene complexes (CO)5M[double bond, length as m-dash]C(SR)CH3 (M = Cr, W; R = iPr, nBu, cHex, tBu) with five primary amines and one secondary amine in aqueous acetonitrile solutions …
A detailed kinetic study has been carried out for the aminolysis of ionizable Fischer thiocarbene complexes (CO)5M[double bond, lengt …
Mechanism of the aminolysis of Fischer alkoxy and thiocarbene complexes: a DFT study.
Andrada DM, Jimenez-Halla JO, Solà M. Andrada DM, et al. J Org Chem. 2010 Sep 3;75(17):5821-36. doi: 10.1021/jo100738x. J Org Chem. 2010. PMID: 20704176
At lower pressure gas-phase conditions, the rate-determining step corresponds to the concerted proton transfer and MeXH elimination. Thiocarbene complexes show a higher energy barrier for this rate-determining step due to the lower basicity of the MeS(-) substituent. ...Ou …
At lower pressure gas-phase conditions, the rate-determining step corresponds to the concerted proton transfer and MeXH elimination. Thio …
QM/MM nonadiabatic dynamics simulations on photoinduced Wolff rearrangements of 1,2,3-thiadiazole.
Liu XY, Fang YG, Xie BB, Fang WH, Cui G. Liu XY, et al. J Chem Phys. 2017 Jun 14;146(22):224302. doi: 10.1063/1.4984589. J Chem Phys. 2017. PMID: 29166059
Two possible mechanisms have been proposed to date. The first is a stepwise mechanism via a thiocarbene intermediate; the second is an excited-state concerted rearrangement mechanism. ...On the basis of QM(CASPT2)/MM [quantum mechanics(complete active space self-consistent …
Two possible mechanisms have been proposed to date. The first is a stepwise mechanism via a thiocarbene intermediate; the second is a …