The rotational spectrum of 2-fluoro-4-chlorotoluene was studied in the frequency range 4 to 24 GHz by Fourier transform microwave spectroscopy. Fine torsional splittings into doublets were found for all transitions due methyl internal rotation hindered with a barrier about 230 cm−1. In combination quadrupole coupling hyperfine on same order magnitude originating from chlorine nucleus, rich spec...

In the fluorescence excitation spectrum of acetaldehyde cooled in a supersonic jet, we performed a full rotational analysis of combination bands 100 140 150 n and 100 140 150 n , n50 – 4 in the system ÃA9– X̃A8. The vibrational frequency of the C–C–O bending mode is determined to be n10 8 5373.163(3) cm. The rotational structures of combination bands 100 140 150 , 100 140 150 , 100 140 150 , and...

Translational and orientational excluded-volume fields encoded in particles with anisotropic shapes can lead to purely entropy-driven assembly of morphologies with specific order and symmetry. To elucidate this complex correlation, we carried out detailed Monte Carlo simulations of six convex space-filling polyhedrons, namely, truncated octahedrons, rhombic dodecahedrons, hexagonal prisms, cube...

The equilibrium molecular structures of the two lowest-energy conformers of glycine, Gly-Ip and Gly-IIn, have been characterized by high-level ab initio electronic structure computations, including all-electron cc-pVTZ CCSD(T) geometry optimizations and 6-31G* MP2 quartic force fields, the latter to account for anharmonic zero-point vibrational effects to isotopologic rotational constants. Base...

The first excited torsional state of the chiral molecule propylene oxide, CH3C2H3O, is investigated from millimeter up to sub-millimeter wavelengths (75–950 GHz). vibrational mode υ24, analysed using programs ERHAM and XIAM. Rotational constants tunneling parameters are provided, a description A-E splittings due internal rotation given. Furthermore, potential barrier height rotation, V3, determ...

The rotational spectra of m-xylene, (CH3)2C6H4, and of m-xylene-d10, (CD3)2C6D4, have been recorded between 6 and 26.5 GHz using pulsed beam Fourier transform microwave spectroscopy. The clue for the assignment of the internal rotation multiplets was the inertial defect derived from the A1A1 species transitions. The rotational constants for m-xylene and m-xylene-d10 are A = 3572.1117(1) MHz / 2...

Considering a two-dimensional lattice of weakly coupled waveguides, where each waveguide may carry two orthogonal modes of dipolar character, we present a nonlinear discrete vector model for the study of Kerr optical solitons with profiles having a reduced symmetry relative to the underlying lattice. We describe analytically and numerically existence and stability properties of such states in s...

The molecular complex between iso-propanol and water has been investigated by Fourier transform microwave spectroscopy. Two distinct rotational spectra have been assigned, corresponding to two different isomers of the adduct. In both cases the water molecule acts as a proton donor to the alcoholic oxygen atom of iso-propanol in its gauche arrangement. The isomer in which the water molecule is o...