Zur Quantenatomistik

Molecular Reorientation of Methanol in Mixtures with Carbon Tetrachloride

“…At •"' methanol = 0.1 the deuteron quadrupole coupling constant begins to decrease from 248 kHz and reaches a value of 230 kHz ^methanol = 0.03. We explain this behaviour by the formation of cyclic dimers in agreement with many other investigations [1,2,[21][22][23][24], The oxygen-17 quadrupole coupling constant which we obtained from oxygen relaxation rates in CD 3 17 OH also provides information on the same line.…”

“…The limiting value at 230 kHz lies above the coupling constant of pure methanol, where we find mainly oligomers. Such cyclic dimers were indeed found from IR measurements in the mixtures methanol + carbon tetrachloride [1,2,[21][22][23][24]. In the region of low concentration of methanol a specific hydrogen bond peak appears and again disappears at higher concentration.…”

Elucidation of the complete set of H2 electronic states? vibrational data

“…The data tabulated in Section 2, as expected, should basically agree with the approximate empirical relationship, $r 2 ≈ Constant [6,7]; it indeed does. This relationship though, does not involve any quantum numbers.…”

“…(2), turns out to be approximately unity. This right away yields $r 2 ≈ Constant, deveiling the approximate empirical relationship left in the dark, since about three quarters of a century [6,7]. Note that regarding the electronic states of a given molecule, M0me is virtually the same.…”

Excess volumes of β-picoline and γ-picoline mixtures with some n-alcohols at 308.15 K

“…In the rest of the P-picoline concentration range their values are consistently more negative than ours; the maximum difference being 0.02 cm3 mol-' at xp-pico,ine = 0.3. For P-picoline Various studies (14)(15)(16) indicate that alcohols are self-associated. The addition of the picoline would then cause rupture of some of the hydrogen bonds (since the picoline would try to adjust itself in the three dimensional hydrogen-bonded network and as such gives rise to increased steric repulsion between the alkyl chain of the alcohol and the picoline ring) so that the resulting alcohol chain fragments then interact with picolines.…”