Thermochemistry for the Dehdrogenation of Alkylated Cyclodi-, Cyclotri-, and Cyclotetraborazane
نویسنده
چکیده
Borane amine compounds hold promise in a chemical hydrogen storage setting due to their high gravimetric and volumetric content of releasable hydrogen. The heats of formation and the thermodynamics of the dehydrogenation of N-methyl substituted cyclodi-, cyclotriand cyclotetraborazane were predicted at the G3(MP2) level following B3LYP/DGDVZP2 level optimization. The dehydrogenation of the N-methyl substituted compounds was predicted to be more endothermic than the dehydrogenation of equivalent non-substituted compounds.
منابع مشابه
Synthesis and Photophysical Properties of Biphenyl and Terphenyl Arylene–Ethynylene Macrocycles
A series of single-walled carbon nanotube precursors, C3h-symmetric cyclotri(ethynylene)(biphenyl-2,4'-diyl) and cyclotri(ethynylene)(p-terphenyl-2,4″-diyl), have been prepared by a linear stepwise oligomerization-cyclization route and by statistical intermolecular cyclooligomerization. In addition to producing these members of a novel class of arylene ethynylene macrocycles, 1 and 2, the latte...
متن کاملSynthesis, characterization and cytotoxicity of alkylated quercetin derivatives
Quercetin, a ubiquitous flavonol, represents a promising leading drug for development of new chemotherapeutic agents. However, its limited cytotoxicity to cancer cells hampers its clinical use. In order to obtain novel quercetin derivatives with superior cytotoxicity, seven alkylated quercetin derivatives were synthesized. Solubility of these derivatives was determined by turbidimetry. Cytotoxi...
متن کاملSynthesis, characterization and cytotoxicity of alkylated quercetin derivatives
Quercetin, a ubiquitous flavonol, represents a promising leading drug for development of new chemotherapeutic agents. However, its limited cytotoxicity to cancer cells hampers its clinical use. In order to obtain novel quercetin derivatives with superior cytotoxicity, seven alkylated quercetin derivatives were synthesized. Solubility of these derivatives was determined by turbidimetry. Cytotoxi...
متن کاملTHE ROLE OF CHLOROMETHYL ETHERS IN THE FORMATION OF N(7) - AND N(9)-ALKYLATED ISOMERS OF ADENINE SYNTHESIS OF 2-[9-(ETHOXYMETHYL) ADENYL] PHOSPHONATE
The structural features of chloromethyl ethers are shown to have a significant effect on the formation of N(7)- or N(9)- alkylated isomers of purine acyclo-nucleosides. The chemical synthesis of 2-[9-(ethoxymethyl) adenyl] phosphonate is described. This compound is active against herpesviruses.
متن کاملSYNTHESIS OF SOME IMIDAZO [ I , 2-b] [l , 2,4] TRIAZINE AND N-ALKYLATED IMIDAZO [l , 2-b] [1 , 2,4]-TRIAZINES
A number of 3-amino-1, 2, 4-triazin-5 (2H)- ones(1) were synthesized and condensed with a-haloketones to give 2,6-disubstituted imidazo [1, 2-b] [1, 2, 4]-triazin-3 (4H)-ones (2). These compounds were reacted further with a - haloketones to yield N-alkylated products (3).
متن کامل