Approaches to 1,4-Disubstituted Cubane Derivatives as Energetic Materials: Design, Theoretical Studies and Synthesis was written by Lal, Sohan; Bhattacharjee, Argha; Chowdhury, Arindrajit; Kumbhakarna, Neeraj; Namboothiri, Irishi N. N.. And the article was included in Chemistry – An Asian Journal on September 1,2022.Computed Properties of C10H12O2 The following contents are mentioned in the article:
Novel 1,4-disubstituted cubane derivatives have been designed and selected ones have been successfully synthesized and characterized by various anal. and spectroscopic techniques, including single-crystal X-ray anal. A detailed computational study at B3LYP/6-311++G(d,p) level of theory revealed that all newly designed 1,4-disubstituted cubane derivatives possess higher densities, higher d.-specific impulse and superior ballistic properties when compared to conventional fuels, for example, RP-1. These compounds also exhibit acceptable kinetic and thermodn. stabilities which were evaluated in terms of their HOMO-LUMO energy gap and bond dissociation energies, resp., and are superior to TEX and many other compounds containing explosophoric groups. These results provide novel insights into the possible application of cubane-based energetic materials. This study involved multiple reactions and reactants, such as Cubane-1,4-diyldimethanol (cas: 60462-27-3Computed Properties of C10H12O2).
Cubane-1,4-diyldimethanol (cas: 60462-27-3) belongs to alcohols. Because alcohols are easily synthesized and easily transformed into other compounds, they serve as important intermediates in organic synthesis. Secondary alcohols are easily oxidized without breaking carbon-carbon bonds only as far as the ketone stage. No further oxidation is seen except under very stringent conditions.Computed Properties of C10H12O2
60462-27-3;Cubane-1,4-diyldimethanol;The future of 60462-27-3;New trend of C10H12O2;function of 60462-27-3