Molecular force measurement in liquids and solids using vibrational spectroscopy

Article Abstract:

Intermolecular forces in liquids and solids as a function of external pressure are measured via shifts in molecular vibrational frequencies. The method relies on a predicted proportionality of the measured frequency shift and the mean force along the vibrating bond, with a coefficient depending only on properties of the isolated solute. Pronounced differences between the forces experienced by different types of bonds, with only a weak dependence on the location of the bond within the solute or the molecular structure of the surrounding solvent, were observed.

Usage, Liquids, Molecular dynamics, Spectra, Vibrational spectra, Solids

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Revisiting Bohr's semiclassical quantum theory

Article Abstract:

Bohr's semiclassical quantum theory is revisited and the application of Bohr's original strategy to the three quintessential quantum systems, namely an electron in a box, an electron in a ring, and a dipolar harmonic oscillator, are demonstrated. The results raise provocative questions concerning the origin of quantum-chemical phenomenon, and also prove to be of pedagogical value in introducing students to quantum mechanics.

Science & research, Analysis, Quantum theory, Quantum mechanics, Electrons, Electron configuration, Mechanical properties, Structure, Correspondence principle (Quantum mechanics), Bohr correspondence principle

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