Hydrogen peroxide: conformation

Structures A B and C represent different conformations of hydrogen peroxide Conformations are different spatial arrangements of a molecule that are generated by rotation about single bonds Although we can t tell from simply looking at these struc tures we now know from experimental studies that C is the most stable conformation... 

Like hydrogen peroxide the inorganic substances hydrazine (H2NNH2) and hydroxylamine (H2NOH) possess conformational mobility Wnte stmctural representations or build molecular models of two different staggered conformations of (a) hydrazine and (b) hydroxylamine... 

A related molecule is hydrogen peroxide. Again, it might be expected that rotation (around the oxygen-oxygen bond) would lead to three all-staggered conformers. 

In this paper, the effect of the pseudopotential term, arising from the quantum mechanical correction to classical mechanism (V ), on the torsional levels of hydrogen peroxide and deuterium peroxide is evaluated. The V operator, depends on the first and second derivatives with respect to the torsional coordinate of the determinant of the g inertia matrix and on the first derivatives of the B kinetic energy parameter of the vihrational Hamiltonian. V has heen determined for each nuclear conformation from the optimized coordinates obtained using MP2/AUG-cc-pVTZ ah initio calculations. 

In the first case, Ing is determined from its values corresponding to the selected conformations. For hydrogen peroxide, it has been determined to be ... 

Therefore, the following mechanistic investigation of the epoxidation of olefins with hydrogen peroxide is constrained to reaction pathways which (1) involve HFIP in an sc or even sp conformation and (2) to hydrogen bonded HFIP aggregates comprising up to four alcohol monomers. 

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