TY - JOUR
T1 - New Potential High-Energy Materials: 1,3-dioxa-2,4-diazetidine, Nsub2/subHsub2/subOsub2/sub, High-Level Calculations
AU - Breth, Michael F.
AU - Knaus, Karen J.
N1 - Michael F. Breth, Karen J. Knaus, David W. Ball, "New Potential High-Energy Materials: 1,3-Dioxa-2,4-diazetidine, N2H2O2. High-Level Calculations" Journal of Undergraduate Chemistry Research 2006, 5, 55 - 60.
PY - 2006/4/1
Y1 - 2006/4/1
N2 - As a follow-up to a study of oxadiaziridine, N 2 H 2 O, as a
potential high energy density material, we determine the
enthalpies of formation and combustion of a very similar
compound with an oxygen-nitrogen four-membered ring,
1,3-dioxa-2,4-diazetidine, which also would exist as cis and
trans isomers. As a fundamental measure of the reactivity of
N 2 H 2 O 2 , the proton affinities of both isomers were also
determined. Gaussian-2, Gaussian-3, and two complete basis
set methods were used.
AB - As a follow-up to a study of oxadiaziridine, N 2 H 2 O, as a
potential high energy density material, we determine the
enthalpies of formation and combustion of a very similar
compound with an oxygen-nitrogen four-membered ring,
1,3-dioxa-2,4-diazetidine, which also would exist as cis and
trans isomers. As a fundamental measure of the reactivity of
N 2 H 2 O 2 , the proton affinities of both isomers were also
determined. Gaussian-2, Gaussian-3, and two complete basis
set methods were used.
UR - https://engagedscholarship.csuohio.edu/scichem_facpub/95
UR - http://www.vmi.edu/WorkArea/DownloadAsset.aspx?id=2230
M3 - Article
VL - 5
JO - Journal of Undergraduate Chemistry Research
JF - Journal of Undergraduate Chemistry Research
ER -