THz to far-infrared spectra of the known crystal polymorphs of phenylalanine.

There is renewed interest in the structure of the essential amino acid phenylalanine in the solid state. Three new polymorphs were found in the years 2012 to 2014. Here, we investigate the structure, stability, and energetical ordering of these phases using first-principles simulations at the level of density functional theory incorporating van der Waals interactions. Two of the distinct crystal forms are found to be structurally similar and energetically very close after vibrational free energy corrections have been taken into account. Infrared absorption spectra are likewise calculated and compared to experimental measurements. By combining measurements obtained with a commercial Fourier transform infra-red spectrometer and a homemade air-photonics-based THz time domain spectrometer, we could carry out this comparison in the vibrational frequency region from 1 to 40 THz. The excellent agreement of the line positions and the established energy ranking allow us to identify the most stable polymorph of phenylalanine.

Polarization-based tachometer for measuring spinning rotors.

We report on the polarization analysis of shortpulse ultraviolet radiation produced by third-harmonic generation in a gas of coherently spinning molecules. A pulse of twisted linear polarization imprints a unidirectional rotational motion to the molecules leading to an orientation of their rotational angular momenta. A second pulse, time-delayed with respect to the first one, circularly polarized in the plane of rotation of the molecules, acts as a driving field for third-harmonic generation. The angular momentum and energy conservation applied to this process foresees the generation of two Doppler-shifted circularly-polarized harmonics of opposite handedness. Our analysis reveals that spinning molecules enable the generation of a well polarized third-harmonic radiation exhibiting a high degree of ellipticity. Tracking the orientation of the latter allows a time-capture of the molecular axis direction from which the average angular velocity of the rotating molecules is inferred. This method provides a user-friendly polarization-based tachometer for measurement of the rotational speed of spinning nonlinear rotors.