The mono(cyclopentadienyl)titanium(II) complex CpTiCl(dmpe)2 has been prepared by treating (CpTiCl2)x with n-butyllithium in the presence of 1,2-bis(dimethylphosphino)ethane (dmpe). Subsequent treatment of this titanium(II) species with methyllithium or n-butyllithium affords the alkyl and hydride analogues CpTiMe(dmpe)2 and CpTiH(dmpe)2, respectively. The X-ray crystal structures of CpTiX(dmpe...

Liver microsomes of various rodents (mouse, rat, rabbit, and hamster) metabolize isoprene (2-methyl-1,3-butadiene) to the corresponding monoepoxides 3,4-epoxy-3-methyl-1-butene and 3,4-epoxy-2-methyl-1-butene. 3,4-Epoxy-3-methyl-1-butene (half-life 85 min) was found to be the main metabolite, although the stable 3,4-epoxy-2-methyl-1-butene was also formed (about 14-25% with respect to the main ...

Table S2. The results obtained in 1-butyne hydrogenation with parahydrogen over Cy3P-Cu/SiO2-700 catalyst: 1-butyne conversion (X), selectivity to 1-butene (S1-butene), signal enhancements (SE) calculated for vinyl CH and CH2 protons of 1-butene, and lower estimates of percentages of pairwise hydrogen addition calculated using SE values. Temperature, °C Flow rate, mL/s X, % S1-butene, % SE (CH)...

Through the use of the technique of time-of-flight mass spectroscopy, we obtain strong-field ionization yields for randomly oriented 1,2-dichloroethylene (1,2-DCE) (C2H2Cl2) and 2-butene (C4H8). We are interested in studying the effect of conformal structure in strong-field ionization and, in particular, the role of molecular polarity. That is, we can perform strong-field ionization studies in ...

The adsorption of alkanes and alkenes on zeolites is investigated by comparing the adsorption characteristics for three types of zeolite: ferrierite, ZSM-5, and mordenite. The activation energy for the diffusion of propane and n-butane on ferrierite and the heat of adsorption of C(2)-C(4) alkanes and alkenes on zeolites and silica are estimated based on Fourier transform infrared spectroscopy, ...

One of the fundamental issues in catalysis is to identify the catalytic active site. Due to its prominent pore topology and acidity, ferrierite (FER) zeolite has attracted extensive interest in various catalytic reactions such as isomerization of butenes. However knowledge on the active Brönsted acid site is still absent. In the present study, we perform extensive density functional theory calc...

The Diels-Alder reaction of the 2-phosphaindolizine-η(1)-P-aluminium(O-menthoxy) dichloride complex with dimethylbutadiene was investigated experimentally and computationally. The >C=P- functionality of the complex reacts with 2,3-dimethylbutadiene with complete diastereoselectivity to afford [2 + 4] cycloadducts. Calculation of the model substrate, 3-methoxycarbonyl-1-methyl-2-phosphaindolizin...