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The structure of hydrogen disulfide is similar to that of hydrogen peroxide, with C 2 point group symmetry. Both molecules are distinctly nonplanar. The dihedral angle between the H a −S−S and S−S−H b planes is 90.6°, compared with 111.5° in H 2 O 2. The H−S−S bond angle is 92°, close to 90° for unhybridized divalent sulfur. [1]
Hydrogen sulfide (H 2 S) too has a C 2v symmetry with 8 valence electrons but the bending angle is only 92°. As reflected in its photoelectron spectrum as compared to water the 5a 1 MO (corresponding to the 3a 1 MO in water) is stabilised (improved overlap) and the 2b 2 MO (corresponding to the 1b 2 MO in water) is destabilized (poorer overlap).
The simple MO diagram of H 2 O is shown on the right. [2] [3] Following simple symmetry treatments, the 1s orbitals of hydrogen atom are premixed as a 1 and b 1. Orbitals of same symmetry and similar energy levels can then be mixed to form a new set of molecular orbitals with bonding, nonbonding, and antibonding characteristics. In the simple ...
Walsh diagrams in conjunction with molecular orbital theory can also be used as a tool to predict reactivity. By generating a Walsh Diagram and then determining the HOMO/LUMO of that molecule, it can be determined how the molecule is likely to react. In the following example, the Lewis acidity of AH 3 molecules such as BH 3 and CH 3 + is predicted.
In particular, a symmetry element can be a mirror plane, an axis of rotation (either proper and improper), or a center of inversion. [1] [2] [3] For an object such as a molecule or a crystal, a symmetry element corresponds to a set of symmetry operations, which are the rigid transformations employing the symmetry element that leave the object ...
Thermolysis converts 1 to (E,E) geometric isomer 2, but 3 to (E,Z) isomer 4.. The Woodward–Hoffmann rules (or the pericyclic selection rules) [1] are a set of rules devised by Robert Burns Woodward and Roald Hoffmann to rationalize or predict certain aspects of the stereochemistry and activation energy of pericyclic reactions, an important class of reactions in organic chemistry.
Example Bjerrum plot: Change in carbonate system of seawater from ocean acidification.. A Bjerrum plot (named after Niels Bjerrum), sometimes also known as a Sillén diagram (after Lars Gunnar Sillén), or a Hägg diagram (after Gunnar Hägg) [1] is a graph of the concentrations of the different species of a polyprotic acid in a solution, as a function of pH, [2] when the solution is at ...
In the gas phase, the comproportionation reaction is much faster because of the much higher mobility of the reacting species as illustrated, e.g., in the Claus reaction where H 2 S and SO 2 react together to form elemental sulfur. Various classical comproportionation reactions are detailed in the series of examples here below.