Chapter 8 : molecular physical chemistry – operators

Operators can be applied to the wave functions and respect the equation of Schrödinger. The operator inversion Î is an operator such as, if a central symmetry can be found, For instance, the orbital s have a centre of symmetry. We say that this state is even. If we apply the inversion operator to this […]

Chapter 7 : Molecular physical chemistry – the hydrogen

To begin smoothly, we will describe the simplest uncharged molecule: the hydrogen. It is composed of one proton with a positive charge e and one electron of opposite charge –e that revolves around the proton at a distance r. In quantum mechanics, the system is described by the equation of Schrödinger Ψ is a wave […]

Chapter 6 : mass spectra – exercises

The solutions immediately follow the problems. You can use this website to find fragments corresponding to a given m/z ratio:  MS fragments. The methodology to obtain the answer is given. Problem 1 The two following spectra come from two isomers with the formula C10H14. Determine the structure of each of them. Answer The isomer A […]

Chapter 5 : NMR proton: principles

A full section can be (and will be) dedicated to the detailed setup of the nucleus magnetic resonance (NMR) and to the analyses we can perform with this tool. In this section, we don’t need a lot of explanations on the NMR theory as it is a technique oriented section. We will however give an […]