Search Results - "Farcasiu, Dan"

Theoretical Studies of Carbocations in Ion Pairs. 8. Search for Anchimeric Assistance in the Ionization of 2-Butyl Cation Precursors by Fǎrcaşiu, Dan, Leu, Rodica

“…The structures of carbocations formed in the ionization of 2-butyl precursors were investigated by high level ab initio MO calculations on the reaction of…”
Get full text

Pyridine derivatives, especially 2,6-di-tert-butylpyridine, labeled with nitrogen-15 by Fărcaşiu, Dan, Lezcano, Marta

“…Pyridine derivatives labeled with 15N can be prepared by the reaction of the corresponding pyrylium salts with 15NH4Cl in close to a stoichiometric ratio, in a…”
Get full text

Carbodications. 3. The two dications derived from mesityl oxide by Farcasiu, Dan, Ghenciu, Anca

Get full text

Mechanism and Reactivity of Alkane C−H Bond Dissociation on Coordinatively Unsaturated Aluminum Ions, Determined by Theoretical Calculations by Fǎrcaşiu, Dan, Lukinskas, Povilas

“…DFT calculations at the B3LYP/6-31G** level were conducted on the reaction of the propane molecule with the aluminum hydroxide clusters (HO)3Al(OH2) x (x =…”
Get full text

The Mechanism of Conversion of Saturated Hydrocarbons Catalyzed by Sulfated Metal Oxides: Reaction of Adamantane on Sulfated Zirconia by Fărcaşiu, Dan, Ghenciu, Anca, Li, Jing Qi

“…The high activity of sulfated zirconia (SZ) toward hydrocarbon conversions has been confirmed by the study of the isomerization of methylcyclopentane to…”
Get full text

The relative electron donating ability of substituents, determined in 2,6-disubstituted pyrylium cations by Farcasiu, Dan, Sharma, Shalini

Get full text

Synthesis of osteotropic hydroxybisphosphonate derivatives of fluoroquinolone antibacterials by McPherson, James C., Runner, Royce, Buxton, Thomas B., Hartmann, John F., Farcasiu, Dan, Bereczki, Ilona, Rőth, Erzsébet, Tollas, Szilvia, Ostorházi, Eszter, Rozgonyi, Ferenc, Herczegh, Pál

“…1-Hydroxybisphosphonate derivatives of ciprofloxacin, gatifloxacin and moxifloxacin have been synthesized using Cu(I) catalyzed azide-alkyne 1,3-dipolar…”
Get full text

Theoretical study of hydrogen dissociation on dialuminum oxide clusters and aluminum-silicon-oxygen clusters, as models of extraframework aluminum species and zeolite lattice by LUKINSKAS, Povilas, FARCASIU, Dan

Get full text

Reaction mechanisms on liquid and solid acid catalysts. Correlation with acidity by FARCASIU, Dan

“…The probe bases used for measurement of strength of acid catalysts need to be structurally similar to the catalytic substrates. Traditional acidity…”
Get full text

Dehydrochlorination of 4-chlorobutyryl cation. An acid- and base-catalyzed reaction in superacids by Farcasiu, Dan, Miller, Glen

Get full text

The effects of reaction conditions and catalyst deactivation on the mechanism of n-butane isomerization on sulfated zirconia by Kim, Soo Y, Goodwin, James G, Fărcaşiu, Dan

“…The mechanism of n-butane isomerization on a widely studied unpromoted sulfated zirconia catalyst was studied at low conversions in a once-through reactor…”
Get full text

Bridged and Open Carbocation Structures as a Function of the Correlation Level in ab Initio Calculations:  The 4-Methyl-2-pentyl Cation by Fǎrcaşiu, Dan, Lukinskas, Povilas, Pamidighantam, Sudhakar V

“…An investigation of the alkylation reaction of propene with the 2-propyl cation by ab initio density functional methods at the B3LYP/6-31G** level found a…”
Get full text

Steric relief control of solvolysis rates of 1-alkyl-2-adamantyl substrates. Empirical force-field calculations by Farcasiu, Dan

Get full text

The mechanism of conversion of hydrocarbons on sulfated metal oxides. Part II. Reaction of benzene on sulfated zirconia [1] by Ghenciu, Anca, Fărcaşiu, Dan

“…The conversion of benzene on sulfated zirconia was studied in batch reactor, under mild conditions. The interaction of benzene with the catalyst is a complex…”
Get full text

Strength of Solid Acids and Acids in Solution. Enhancement of Acidity of Centers on Solid Surfaces by Anion Stabilizing Solvents and Its Consequence for Catalysis by Fǎrcaşiu, Dan, Ghenciu, Anca, Marino, Gaye, Rose, Kenneth D

“…A comparison of acidity of two solids, a poly(styrenesulfonic acid) (Amberlyst 15) and a perfluoroinated ion exchange polymer (Nafion-H, PFIEP) with the…”
Get full text

Theoretical Studies of Carbocations in Ion Pairs. 4. The Interconversion of the 1-Propyl Cation and Protonated Cyclopropane by Fǎrcaşiu, Dan, Hâncu, Dan

“…The structure of the 1-propyl cation in the ion pair with the model anion trihydrofluoroborate, proven in earlier work to be appropriate for such studies, was…”
Get full text

Reactions of hexane isomers on H-mordenite at moderate temperatures in liquid and gas phases: the effect of cyclic hydrocarbons by Fărcaşiu, Dan, Lee, Kyong-Hwan

“…H-mordenite, a more active acid catalyst than HZSM-5, showed features of a carbocationic/cationoidic isomerization in the reaction of liquid 3-methylpentane,…”
Get full text

Theoretical Calculation of the Interaction of Hydrogen with Models of Coordinatively Unsaturated Centers on Alumina by Fǎrcaşiu, Dan, Lukinskas, Povilas

“…Ab initio calculations with large basis sets and electron correlation were conducted on the reaction of hydrogen molecules with (HO)3Al(OH2) x clusters, where…”
Get full text

Theoretical Studies of Carbocations in Ion Pairs. Part 3. The tert-Butyl Cation in an Ionic Aggregate by Fǎrcaşiu, Dan, Lukinskas, Povilas

“…The structure of the tert-butyl cation in the five-ion aggregate Li+•H3BF-•Me3C+•FBH3 -•Li+ was studied by high level ab initio MO calculations, with electron…”
Get full text

Theoretical Studies of Carbocations in Ion Pairs. Part 6:  The tert-Butyl Cation at Various Interionic Distances by Fǎrcaşiu, Dan, Lukinskas, Povilas

“…The structure of the tert-butyl cation (1) ion-paired with the trihydrofluoroborate anion (A), previously shown to be appropriate for such studies, was…”
Get full text