187-26-8Relevant academic research and scientific papers
New approaches to the development of high-performance hydrocarbon propellants
Savos'kin,Kapkan,Vaiman,Vdovichenko,Gorkunenko,Yaroshenko,Popov,Mashchenko,Tkachev,Voloshin,Potapov
, p. 31 - 37 (2007/12/31)
An approach to express screening of promising hydrocarbon propellants, based on the calculation of the specific impulse of an engine from the results of quantum-chemical calculation of their heats of combustion, was suggested. The approach ensures high accuracy irrespective of the composition and structure of the compounds under consideration. Polycyclic and framework hydrocarbons with small rings were suggested as promising propellants.
Resonance Energy Calculation; the MM2ERW Force Field
Roth, Wolfgang R.,Adamczak, Oliver,Breuckmann, Rolf,Lennartz, Hans-Werner,Boese, Roland
, p. 2499 - 2521 (2007/10/02)
The additivity of the thermochemical conjugation energy in acyclic systems allows one to extend force-field calculations to conjugated ? systems without embarking on quantum-mechanical methods.The approach fails with cyclic delocalized systems, where resonance effects become important.Here the method provides the reference value needed to calculate resonance energies.Key Words: Calculations, force-field/ Resonance energy/ Heats of hydrogenation/ Homoaromaticity
Zur Photochemie des cis-1,3-Divinylcyclobutans
Trautmann, Walter,Musso, Hans
, p. 982 - 989 (2007/10/02)
The title compound 7 is obtained by ozonolysis of bicyclohex-2-ene (5) and Wittig reaction of the dialdehyde 6.There was no intramolecular photo-cycloaddition observed by irradiation of 7 but rearrangement to cis- and trans-allylvinylcyclopropanes 10 and 11.With the esters 12 - 14 the light energy is wasted in cis-trans-isomerisations.In comparison, the cis-1,3-cyclopentane derivatives 16 and 17 give some cycloaddition.
