The 28-Electron Tetraatomic Molecules: N4, CN2O, BFN2, C2O2, B2F2, CBFO, C2FN, and BNO2. Challenges for Computational and Experimental …
The energies and structures of the 28-electron tetraatomic molecules, composed of the first
row nonmetallic elements: N4 (1), CN2O (2), BFN2 (3), C2O2 (4), B2F2 (5), CBFO (6), C2FN …
row nonmetallic elements: N4 (1), CN2O (2), BFN2 (3), C2O2 (4), B2F2 (5), CBFO (6), C2FN …
Ab Initio Study on the Oxidation of NCN by O (3P): Prediction of the Total Rate Constant and Product Branching Ratios
RS Zhu, MC Lin - The Journal of Physical Chemistry A, 2007 - ACS Publications
The reaction of NCN with O is relevant to the formation of prompt NO according to the new
mechanism, CH+ N2→ cyclic-C (H) NN−→ HNCN→ H+ NCN. The reaction has been …
mechanism, CH+ N2→ cyclic-C (H) NN−→ HNCN→ H+ NCN. The reaction has been …
Elusive Diazirinone, N2CO
X Zeng, H Beckers, H Willner… - Angewandte Chemie …, 2011 - Wiley Online Library
Diazirinone, N2CO (1, Scheme1), and its isoelectronic analogues tetranitrogen (N4)[1] and
dicarbon dioxide (C2O2)[2] are of fundamental interest since they may be viewed as dimers …
dicarbon dioxide (C2O2)[2] are of fundamental interest since they may be viewed as dimers …
Accurate multimode vibrational calculations using a B-spline basis: Theory, tests and application to dioxirane and diazirinone
The use of B-spline basis sets is explored in the context of a vibrational program for
automatic potential energy surface (PES) construction and multimode anharmonic …
automatic potential energy surface (PES) construction and multimode anharmonic …
Experimental Detection of Theoretically Predicted N2CO
G de Petris, F Cacace, R Cipollini… - Angewandte Chemie …, 2005 - Wiley Online Library
“Metastability” has drawn special attention as a means of energy storage, and much
theoretical and experimental effort has been devoted to the study of the isoelectronic N4 …
theoretical and experimental effort has been devoted to the study of the isoelectronic N4 …
Photolysis of carbonyl diisocyanate: generation of isocyanatocarbonyl nitrene and diazomethanone
Q Liu, H Li, Z Wu, D Li, H Beckers… - Chemistry–An Asian …, 2016 - Wiley Online Library
The stepwise decomposition of carbonyl diisocyanate, OC (NCO) 2, has been studied by
using IR spectroscopy in solid argon matrices at 16 K. Upon irradiation with an ArF laser (λ …
using IR spectroscopy in solid argon matrices at 16 K. Upon irradiation with an ArF laser (λ …
Autocatalytic decomposition of carbonic acid
SA de Marothy - International Journal of Quantum Chemistry, 2013 - Wiley Online Library
Long held to be unstable or metastable in the gas phase, carbonic acid has successfully
been produced and identified in its gaseous form in recent decades. Theoretical studies …
been produced and identified in its gaseous form in recent decades. Theoretical studies …
“Carbon Dichloride”: Dihalocarbenes Sixty Years After Hine
RA Moss - The Journal of Organic Chemistry, 2010 - ACS Publications
We describe new syntheses of dichlorodiazirine, difluorodiazirine, and chlorofluorodiazirine.
From these precursors, laser flash photolysis enables the generation of CCl2, CF2, and …
From these precursors, laser flash photolysis enables the generation of CCl2, CF2, and …
Unprecedented chemistry of an aryloxychlorodiazirine: Generation of a dihalodiazirine and diazirinone
RA Moss, G Chu, RR Sauers - Journal of the American Chemical …, 2005 - ACS Publications
The reaction of p-nitrophenoxychlorodiazirine with tetrabutylammonium fluoride follows
three channels:(1)∼ 17% of p-nitrophenoxide/fluoride exchange to chlorofluorodiazirine …
three channels:(1)∼ 17% of p-nitrophenoxide/fluoride exchange to chlorofluorodiazirine …
Exploring High-Pressure Structures of N2CO
We have extensively investigated the crystal structures of N2CO under high pressure using
the swarm structure searching technique in combination with density functional theory …
the swarm structure searching technique in combination with density functional theory …