Hydrogen bonds study

P. G. Jonsson, Hydrogen bond studies. CXIII. The crystal structure of ethanol at 87 K. Acta Crystallogr. B32, 232 235 (1976). 

The question of whether or not the NMR association shifts may give a reliable measure of hydrogen bond strength is an important one, and would provide a valuable aid to hydrogen bond studies if this turned out to be the ease. The alternative possibility is that a simple correlation of this kind is upset by anomalous secondary magnetic effects... 

The AMI (8) approximation to molecular orbital theory has been used for these studies. This method overcomes the problems that previous semiempirical methods (notably, MNDO) (9) have in describing hydrogen-bonds. It has been used with success in several hydrogen-bonding studies. (10-12) Ab initio studies of H-bonding systems are very sensitive to basis set and correction for electron-... 

West, R., and R. H. Baney Hydrogen Bonding Studies. II. The Acidity and Basicity of Silanols Compared to Alcohols. J. Amer. chem. Soc. 81, 6145-6148 (1959). 

L. S. Whatley, and K. J. Lake Hydrogen Bonding Studies. V. The Relative Basicities of Ethers, Alkoxysilanes and Siloxanes and the Nature of the Silicon-Oxygen Bond. J. Amer. chem. Soc. 83, 761—764 (1961). 

It has recently been shown that within the same reaction series the mechanism of catalysis by uncharged Lewis bases may change with variation of the structure (275). Tandem kinetic and IR hydrogen bond studies revealed that silylation reaction of a silanol catalyzed with triethylamine is first order with respect to the silanol-amine hydrogen bond complex [Eq. (75).] The same reaction was shown to be effectively catalyzed by... 

Lundgren J-O, Olovsson I (1967) Hydrogen bond studies.XVI. The crystal structure of chloride trihydrate. Acta Crys 23 971-976... 

Jdnsson PG, Hamilton WC (1972) Hydrogen-bond studies. LX. A single crystal neutron diffraction study of trichloroacetic acid dimer. J Chem Phys 56 4433-4439... 

Leviel J-L, Auvert G, Savariault JM (1981) Hydrogen bond studies. A neutron diffraction study of succinic acid at 30 and 77 K. Acta Cryst B37 2185-2189... 

JOnsson PG (1971) Hydrogen-bond studies. XLIV. Neutron diffraction study of acetic acid. Acta Cryst B27 893 - 898... 

KUppers H, Kvick A, Olovsson I (1981) Hydrogen bond studies CXLII. Neutron diffraction study of the two very short hydrogen bonds in lithium hydrogen phthalate-methanol. Acta Cryst B37 1203-1207... 

Thomas JO, Tfellgren J, Olovsson I (1974) Hydrogen bond studies. LXXXIV. An X-ray diffraction study of the structures of KHC03 and KDC03 at 298, 219 and 95 K. Acta Cryst B30 l 155—1166... 

Gilli, R, Bertolasi, V., Ferretti, V., and Gilli, G., Covalent nature of the strong homonuclear hydrogen bond. Study of the 0—H"0 system by crystal structure correlation methods, J. Am. Chem. Soc. 116, 909-915 (1994). 

Quantum Chem. Symp., 18, 601 (1984). Parallelism in Quantum Chemistry Hydrogen Bond Study in DNA Base Pairs as an Example. 

F. Milia, E. Hadjoudis, and J. Seliger, Hydrogen bond studies in thermochromic and photochromic W-salicybdene anihnes, J. Mol. Struct. 177,191-197 (1988). 

For technical reasons, phenols are convenient reference hydrogen-bond donors for hydrogen-bonding studies. We present below their use for constructing thermodynamic and spectroscopic scales of hydrogen-bond basicity. These scales are either solute scales when the phenol and the base are dissolved in an inert solvent, or solvent scales when the phenol is studied in the pure base. In the latter case, methods such as the solvatochromic comparison method or the calorimetric pure base method have been developed to unravel the hydrogen-bond contribution to the overall solvent effect. 

S. J. Grabowski, Ab initio calculations on conventional and unconventional hydrogen bonds—Study of the hydrogen bond strength, J. Phys. Chem. A 105, 10739-10746 (2001). 

Ratajczak, H., and Orville-Thomas, W.J., Hydrogen-bond studies. I. Relation between vibrational frequencies and bond length in O-H- -O hydrogen bonded systems, /. Mol. Struct., 1, 449 61 (1968). 

Kvick, A., Koetzle, T.F., and Thomas, R. (1974) Hydrogen bond studies. 89. A neutron diffraction study of hydrogen bonding in 1-methylthymine, J. Chem. Phys. 61, 2711-2719. 

Acknowledgment. I am grateful to all research associates who participated in hydrogen bonding studies. 

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