Free jet absorption millimeter wave spectrum of the pyrimidine—argon molecular complex

Intermolecular Hydrogen Bonding between Water and Pyrazine

“…The small non-zero values of j b j and j c j for the oxygen atom and the hydrogen atom involved in the hydrogen bond are probably due to the large amplitude motions underlying this type of molecular complex (see, for example, ref. [19]), and are therefore compatible with zero Table 1. Rotational constants, centrifugal constants, and energy differences between the two sublevels of the ground state for the pyrazine/water complexes.…”

Chemistry at Low Pressure and Low Temperature: Rotational Spectrum and Dynamics of Pyrimidine-Neon

“…These coordinates are also reported in Table 3, and give more indications on the structure of the complex. The small nonzero values of j x j are attributed to large amplitude motions that underlie this kind of molecular complex, [7] and therefore are compatible with zero equilibrium values. The values obtained are affected by the Coriolis contributions to the moments of inertia, are thus implicitly approximated values.…”

“…A rather simple interpretation of this effect has been given for PRM ± Ar, in terms of mass dispersion and vibrational Coriolis couplings. [7] Van der Waals motions…”

“…For PRM-Ne k s , the corresponding harmonic stretching fundamental (n s ), and the dissociation energy (E B ), obtained assuming a Lennard-Jones type potential, are reported in Table 5, and compared to the corresponding values for the related complexes PRM-A [7] and PRM-water. [28] Figure 2 shows the three Lennard-Jones potential curves.…”

Jet-Cooled Rotational Spectra and Ab Initio Investigations of the Tetrahydropyran-Water System

“…The small non-zero j b j value for the water oxygen is consistent with the contributions due to the large-amplitude motions of the water moiety in a van der Waals complex (see for example ref. [33]). …”