Hydrogen bonding systems

Some binary mixtures of protic molecules have also been reported to form mesophases that are not present in either pure component. For instance, Lawrence observed mesophase formation in 1 2 molar ratios of cholesterol and 1-alkanols containing 12,13,14,16 and 18 carbon atoms [151]. Mixtures of 1-hexadecanol and dodecanoic acid exhibits a lamellar liquid crystalline (smectic) phase [152]. Intermolecular hydrogen bonding must be an important contributing factor to maintain the necessary aggregation for mesomorphism in these cases. For applications of this concept to PLCs, see Chapter 3. 

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F, St-Amant A, I Papai and D R Salahub 1992. Gaussian Density Functional Calculations on Hydrogen-Bonded Systems, journal of the American Chemical Society 114 4391-4400. ter J C1974. Quantum Theory of Molecules and Solids Volume 4 The Self-Consistent Field for Molecules and Solids. New York, McGraw-Hill. 

Sandorfy, C. Vibrational Spectra of Hydrogen Bonded Systems in the Gas Phase. 120,41-84 (1984). Schlogl, K. Planar Chiral Molecural Structures, 125, 27-62 (1984). 

The water dimer is probably the most intensively studied intermolecular hydrogen bonded system of all. Hence, ample theoretical and experimental data is available for this system,... 

Table 12-8. Deviation of counterpoise-corrected interaction energies [kcal/mol] for several hydrogen bonded systems from best available computed data (TZ2P basis set quality, all data from Tuma, Boese, and Handy, 1999). 

Barone, V., Orlandini, L., Adamo, C., 1994b, Proton Transfer in Model Hydrogen-Bonded Systems by a Density Functional Approach , Chem. Phys. Lett., 231, 295. 

Barone, V., Adamo, C., 1997b, Toward a General Protocol for the Study of Static and Dynamic Properties of Hydrogen-Bonded Systems , Int. J. Quant. Chem., 61, 429. 

Civalleri, B., Garrone, E., Ugliengo, P., 1997, Density Functional Study of Hydrogen-Bonded Systems Energetic and Vibrational Features of Some Gas-Phase Adducts of Hydrogen Fluoride , J. Mol. Struct. (Theochem), 419, 227. 

Gonzales, L., Mo, O., Yanez, M., 1996, High Level Ab Initio Versus DFT Calculations on (H202)2 and H202-H20 Complexes as Prototypes of Multiple Hydrogen Bonded Systems , J. Comput. Chem., 18, 1124. 

Guo, H., Sirois, S., Proynov, E. I., Salahub, D. R., 1997, Density Functional Theory and its Applications to Hydrogen-bonded Systems in Theoretical Treatments of Hydrogen Bonding, Hadzi, D. (ed.), Wiley, New York. 

Stile, P., Nagy, A., 1996, Density Functional Study of Strong Hydrogen-Bonded Systems The Hydrogen Diformiate Complex , J. Chem. Phys., 104, 8524. 

Zhang, Q., Bell, R., Truong, T. N., 1994, Ab Initio and Density Funcional Theory Studies of Proton Transfer Reactions in Multiple Hydrogen Bond Systems , J. Phys. Chem., 99, 592. 

Gresh N, Claverie P, Pullman A (1982) Computations of intermolecular interactions Expansion of a charge-transfer energy contribution in the framework of an additive procedure. Applications to hydrogen-bonded systems. Int J Quant Chem 22 199... 

ESIPT via Five-Membered-Ring Hydrogen-Bonding System... 

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