Hydrogen bond spectroscopic study

The entropy value of gaseous HCl is a sum of contributions from the various transitions summarized in Table 4. Independent calculations based on the spectroscopic data of H Cl and H Cl separately, show the entropy of HCl at 298 K to be 186.686 and 187.372 J/(mol K) (44.619 and 44.783 cal/(mol K), respectively. The low temperature (rhombic) phase is ferroelectric (6). SoHd hydrogen chloride consists of hydrogen-bonded molecular crystals consisting of zigzag chains having an angle of 93.5° (6). Proton nmr studies at low temperatures have also shown the existence of a dimer (HC1)2 (7). 

Unexpectedly strong intermolecular hydrogen bonding has been reported by IR spectroscopic studies for tetrahydro-4,7-phenanthroline-l,10-dione-3,8-dicarboxylic acids, which exist in the oxo-hydroxy form 165 in both solid state and in solution [78JCS(CC)369].Tlie conclusion was based on comparison of B-, C-, and D-type bands for 165 and their dimethyl esters (detection of hydrogen bonding) and on analysis of IR spectra in the 6 /xm region (pyridine- and pyridone-like bands). 

The pattern of hydrogen bonding between a pair of acylurea derivatives revealed by X-ray analysis was consistent with that predicted by spectroscopic studies. Typical examples are illustrated in Figs. 11 and 12 35-37) two NH — O intermolecular hydrogen bonds connect the two molecules. This holds true for the other acylurea derivative 20 (R8 = CH2Ph)38) and 1 1 complexes whose crystal structures were so far determined. 

Some years ago, Kamlet and Taft embarked upon a study of how solvents influence the properties of solutes, focusing initially upon the effects of hydrogen bonding upon electronic transitions.184185 This led eventually to an empirical relationship between a spectroscopic property X of a given solute, e.g., the position or intensity of a peak, and certain solvent parameters, a, p and it 186... 

The simplest unsaturated alcohol with ip3-carbon O—H is allyl alcohol (propenol). The monomer occurs in two energetically similar conformations in the gas phase [145, 240], which are both stabilized by intramolecular O—H- -n interactions. The dimer has only been studied in matrix isolation [241]. Spectroscopic evidence for an intermolecular O—H ji hydrogen bond was found. A vibrational (IR and Raman) supersonic jet measurement would be able to unravel the different monomer and dimer conformations involved. 

A. Fujii, S. Enomoto, M. Miyazaki, and N. Mikami, Morphology of protonated methanol clusters An infrared spectroscopic study of hydrogen bond networks of H+(CH30H)n (n 4 15). 

S. Jarmelo, N. Maiti, V. Anderson, P. R. Carey, and R. Fausto, Ca H bond stretching frequency in alcohols as a probe of hydrogen bonding strength A combined vibrational spectroscopic and theoretical study of n [1 Djpropanol. J. Phys. Chem. A 109, 2069 2077 (2005). 

M. A. Czarnecki, Near infrared spectroscopic study of hydrogen bonding in chiral and racemic octan 2 ol. J. Phys. Chem. A 107, 1941 1944 (2003). 

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