UV Light Irradiation Effects in P-Doped Diamonds: Total Content Determination of Phosphorus Donors.

Upon the UV light irradiation of single-crystal diamonds doped with phosphorus, several effects have been observed. The integral intensity of phosphorus lines in FTIR absorption spectra under UV radiation was increased. A saturation effect depending on the power of the laser radiation was demonstrated.

Overtone spectroscopy of v(C=O) stretching vibration of hexafluoroacetone: Experimental and ab initio determination of peak positions, absolute intensities, and band shapes.

Infrared overtone spectra of the ν(C = O) stretching vibration (ν) of gaseous hexafluoroacetone ((CF)C = O, HFA) were recorded in the spectral range of 7450-3300 cm with a resolution of 0.1 cm. Experimental absolute IR intensities and vibrational band centers of the overtones 2ν, 3ν, 4ν of HFA were measured and compared with their ab initio counterparts, calculated by the second-order canonical vibrational perturbation theory (CVPT2).

Data on vibrational spectra of the langasites LnCrGeBeO (Ln = La, Pr, Nd) and calculations.

In "Lattice dynamics and structure of the new langasites LnCrGeBeO (Ln = La, Pr, Nd): vibrational spectra and calculations" [1], experimental and calculated results on lattice dynamics of the recently discovered new compounds LaCrGeBeO, PrCrGeBeO, and NdCrGeBeO are reported. These compounds belong to the langasite series and constitute a new class of low-dimensional antiferromagnets. The data presented in this article includes IR diffuse transmission spectra of powder samples of LnCrGeBeO (Ln = La, Pr, Nd) registered at room temperature with a Bruker 125HR Fourier spectrometer, Raman spectra taken in the backscattering geometry (also at room temperature) with a triple monochromator using the line 514, 5 nm of an argon laser as an excitation, results of the DFT calculations with the B3LYP and PBE0 hybrid functionals on the optimized crystal structures, eigenfrequencies and eigenvectors of the normal vibrational modes.