Metal-catalyzed 1, 3-dipolar cycloaddition reactions of nitrile oxides
S Roscales, J Plumet - Organic & Biomolecular Chemistry, 2018 - pubs.rsc.org
In the present review advances in the metal-catalyzed 1, 3-dipolar cycloaddition reactions of
nitrile oxides, mainly in the last decade, will be presented and discussed. An overview on …
nitrile oxides, mainly in the last decade, will be presented and discussed. An overview on …
A rigorous detection of interstellar CH3NCO: An important missing species in astrochemical networks
J Cernicharo, Z Kisiel, B Tercero, L Kolesniková… - Astronomy & …, 2016 - aanda.org
The recent analysis of the composition of the frozen surface of comet 67P/Churyumov-
Gerasimenko has revealed a significant number of complex organic molecules. Methyl …
Gerasimenko has revealed a significant number of complex organic molecules. Methyl …
Theoretical studies on [3+ 2]-cycloaddition reactions
ML Kuznetsov - Russian chemical reviews, 2006 - iopscience.iop.org
The results of theoretical studies on [3+ 2]-cycloaddition reactions carried out during the last
decade are summarised. The reaction mechanisms are discussed. The catalyst, solvent, and …
decade are summarised. The reaction mechanisms are discussed. The catalyst, solvent, and …
Dimerizations of nitrile oxides to furoxans are stepwise via dinitrosoalkene diradicals: A density functional theory study
ZX Yu, P Caramella, KN Houk - Journal of the American Chemical …, 2003 - ACS Publications
Density functional theory calculations at the B3LYP/6-31G* level on the dimerization
reactions of acetonitrile oxide and para-chlorobenzonitrile oxide to form furoxans indicate …
reactions of acetonitrile oxide and para-chlorobenzonitrile oxide to form furoxans indicate …
A database of formation enthalpies of nitrogen species by compound methods (CBS-QB3, CBS-APNO, G3, G4)
JM Simmie - The Journal of Physical Chemistry A, 2015 - ACS Publications
Accurate thermochemical data for compounds containing C/H/N/O are required to underpin
kinetics simulation and modeling of the reactions of these species in different environments …
kinetics simulation and modeling of the reactions of these species in different environments …
anti-Diradical Formation in 1,3-Dipolar Cycloadditions of Nitrile Oxides to Acetylenes
G Haberhauer, R Gleiter… - The Journal of Organic …, 2015 - ACS Publications
By means of high level quantum chemical calculations (B2PLYPD and CCSD (T)), the
mechanisms of the reaction of nitrile oxides with alkenes and alkynes were investigated. We …
mechanisms of the reaction of nitrile oxides with alkenes and alkynes were investigated. We …
XeOF2, F2OXeN≡CCH3, and XeOF2·nHF: Rare Examples of Xe(IV) Oxide Fluorides
DS Brock, V Bilir, HPA Mercier… - Journal of the American …, 2007 - ACS Publications
The syntheses of XeOF2, F2OXeN⋮ CCH3, and XeOF2⊙ n HF and their structural
characterizations are described in this study. All three compounds are explosive at …
characterizations are described in this study. All three compounds are explosive at …
Dimerisation of nitrile oxides: a quantum-chemical study
T Pasinszki, B Hajgató, B Havasi… - Physical Chemistry …, 2009 - pubs.rsc.org
The [3+ 2] and [3+ 3] cyclodimerisation processes of small nitrile oxides, XCNO (X= F, Cl, Br,
CN, CH3) are investigated by ab initio coupled cluster theory at the CCSD, CCSD (T) and …
CN, CH3) are investigated by ab initio coupled cluster theory at the CCSD, CCSD (T) and …
Theoretical study on the structure and stability of [1, 2, 5] oxadiazolo [3, 4-e][1, 2, 3, 4]-tetrazine-4, 6-Di-N-dioxide (FTDO)
WP Lai, P Lian, T Yu, JH Bu, YZ Liu, WL Zhu… - Journal of molecular …, 2014 - Springer
Abstract Although many 1, 2, 3, 4-tetrazine-1, 3-dioxide derivates have been synthesized,[1,
2, 5] oxadiazolo [3, 4-e][1, 2, 3, 4]-tetrazine-4, 6-di-N-dioxide (FTDO) is the only one with …
2, 5] oxadiazolo [3, 4-e][1, 2, 3, 4]-tetrazine-4, 6-di-N-dioxide (FTDO) is the only one with …
Structural and spectroscopic characterization of methyl isocyanate, methyl cyanate, methyl fulminate, and acetonitrile N-oxide using highly correlated ab initio methods
S Dalbouha, ML Senent, N Komiha… - The Journal of …, 2016 - pubs.aip.org
Various astrophysical relevant molecules obeying the empirical formula C 2 H 3 NO are
characterized using explicitly correlated coupled cluster methods (CCSD (T)-F12) …
characterized using explicitly correlated coupled cluster methods (CCSD (T)-F12) …