Gas-Phase Interaction of Calcium (Ca2+) with Seleno Derivatives of Uracil

2008 ◽  
Vol 4 (6) ◽  
pp. 1002-1011 ◽  
Author(s):  
Al Mokhtar Lamsabhi ◽  
Otilia Mó ◽  
Manuel Yáñez ◽  
Russell J. Boyd
1981 ◽  
Vol 46 (12) ◽  
pp. 3088-3096 ◽  
Author(s):  
Josef Pola ◽  
John M. Bellama ◽  
Václav Chvalovský

A comparative study of the gas-phase interaction of methyltrichloro derivatives of carbon, silicon and germanium (CH3MCl3 where M = C, Si and Ge) with sulfur hexafluoride either excited by a cw-CO2 laser radiation or under conventional static pyrolytic conditions is reported. 1,1,1-Trichloroethane and methyltrichlorogermane do not react with SF6 under laser irradiation and undergo their decomposition leading to the same products as afforded by heating: CH3CCl3 yields Cl2C=CH2 and HCl, and CH3GeCl3 gives HGeCl3 along with CH4 and C2H2. Mixtures of methyltrichlorosilane and SF6 afford under the both conditions products of the CH3SiCl3 decomposition -CH4, C2H2, HCl and SiCl4 and products of the CH3SiCl3-SF6 reaction -SiF4, SCF2 and CS2. Possible reasons for the different reactivity of CH3MCl3 compounds toward SF6 are briefly discussed. The decompositions of CH3GeCl3 to HGeCl3 offers new way for the preparation of the latter compound.


1987 ◽  
Vol 42 (4) ◽  
pp. 489-494 ◽  
Author(s):  
Eckehard V. Dehmlow ◽  
Roland Kramer

Abstract The title compounds la-3c were prepared by stereoselective reduction of the respective dibromides. Pyrolysis gave allylic bromides (8, 9, 11) as primary and dienes (10, 12) as secondary products. Product ratios were independent of the stereochemistry of the starting materials. No differences of the rearrangement rates of the stereoisomers were observed in gas phase reactions of the derivatives of bicyclo[6.1.0]- and bicyclo[8.1.0]alkanes. With the larger bicyclo[10.1.0] derivatives, however, distinct differences in the thermal stability of cis-trans-isomers4c/5c or 2c/3c were found in condensed phase.


2002 ◽  
Vol 124 (17) ◽  
pp. 4910-4917 ◽  
Author(s):  
N. Zint ◽  
A. Dreuw ◽  
L. S. Cederbaum

1996 ◽  
Vol 45 (8) ◽  
pp. 1921-1924 ◽  
Author(s):  
V. L. Kadentsev ◽  
N. G. Kolotyrkina ◽  
A. A. Stomakhin ◽  
O. S. Chizhov
Keyword(s):  

1991 ◽  
Vol 46 (5) ◽  
pp. 426-432
Author(s):  
Zdenek Slanina

AbstractVarious refined potentials describing the intra- and inter-molecular force fields of water molecules arc used to calculate the properties of the gas-phase water dimer. The intra-molecular parts have been taken from spectroscopic or quantum-chemical sources. The minimum energy structure was found iteratively using the first derivatives of the potential; the force-constant matrix was constructed by numerical difierentation. A quite close agreement between the Bopp-Jancso-Heinzinger and the Matsuoka-Clementi-Yoshimine-Lie potentials is found. The treatment is applied to seven observed water-dimer isotopomeric isomerizations


2015 ◽  
Vol 93 (7) ◽  
pp. 708-714 ◽  
Author(s):  
Margarida S. Miranda ◽  
Darío J.R. Duarte ◽  
Joaquim C.G. Esteves da Silva ◽  
Joel F. Liebman

A computational study has been performed for protonated oxygen- or nitrogen-containing heterocyclic derivatives of cyclopropane and cyclopropanone. We have searched for the most stable conformations of the protonated species using density functional theory with the B3LYP functional and the 6-31G(2df,p) basis set. More accurate enthalpy values were obtained from G4 calculations. Proton affinities and gas-phase basicities were accordingly derived.


2006 ◽  
Vol 253 (3) ◽  
pp. 201-206 ◽  
Author(s):  
Marko Rožman ◽  
Dunja Srzić ◽  
Leo Klasinc
Keyword(s):  

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