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Cover Image, Volume 119, Issue 4
Publication year - 2019
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.25891
Subject(s) - cover (algebra) , decomposition , thermochemistry , endothermic process , chemistry , exothermic reaction , computer science , computational chemistry , organic chemistry , adsorption , mechanical engineering , engineering
In e25794, Ian Pimienta and Konrad Patkowski discuss the thermochemistry and decomposition pathways of a new class of azole compounds with a very high nitrogen content. The unsubstituted 1,1′‐Azobis(tetrazole) (N 10 ) compound is found to possess a large positive heat of formation. Its decomposition begins by two weakly endothermic steps followed by a sequence of highly exothermic steps with a release of N 2 . The substituted N 10 compounds shown in the cover image exhibit larger or smaller enthalpies of formation relative to N 10 depending on the nature of the substituent. These compounds decompose via multiple multi‐step pathways and the resulting reaction energies can be higher or lower than those for N 10 depending on the decomposition scheme. (DOI: 10.1002/qua.25794 )