The Mass Spectrometric Fragmentation of Some 5,5-Dimethyl-2-oxo-1,3,2-dioxaphosphorinanes.

A Theoretical Study on Applying Conformational Analysis of 2-Halo-2-Oxo-1,3,2-Dioxaphosphorinanes

The quantum-chemical calculations on the conformational properties of 2-flouro-2-oxo- 1,3,2-dioxaphosphorinane (1), 2-choloro-2-oxo-1,3,2-dioxaphosphorinane (2) and 2-bromo- 2-oxo-1,3,2-dioxaphosphorinane (3) have been investigated by means of ab initio molecular orbital (HF/6-311+G**) and hybrid density functional theory (B3LYP/6-311+G**) based methods and Natural Bond Orbital (NBO) interpreta...

Electrospray ionization mass spectrometric fragmentation of hydroquinone derivatives.

The fragmentation patterns of nine di-, tri- and tetracyclic hydroquinones with potential antitumor activity were rationalized by invoking competing mechanisms that included sterically accelerated homolytic cleavage, Meerwein-type rearrangements and dehydrations through elimination or intramolecular nucleophilic substitution.

a theoretical study on applying conformational analysis of 2-halo-2-oxo-1,3,2-dioxaphosphorinanes

extensions of some polynomial inequalities to the polar derivative

توسیع تعدادی از نامساوی های چند جمله ای در مشتق قطبی

(5,7-Dimethyl-2-oxo-2H-chromen-4-yl)methyl diethyl­dithio­carbamate

In the title compound, C(17)H(21)NO(2)S(2), the coumarin ring system is nearly planar, with a maximum deviation of 0.080 (2) Å from the mean plane. An intra-molecular C-H⋯S hydrogen bond occurs. The crystal structure features C-H⋯S hydrogen bonds and weak π-π inter-actions with a centroid-centroid distance of 3.679 (1) Å.