The 6-vertex model of hydrogen-bonded crystals with bond defects
نویسندگان
چکیده
It is shown that the percolation model of hydrogen-bonded crystals, which is a 6-vertex model with bond defects, is completely equivalent to an 8-vertex model in an external electric field. Using this equivalence we solve exactly a particular 6-vertex model with bond defects. The general solution for the Bethe-like lattice is also analysed.
منابع مشابه
A ug 1 99 9 The 6 - vertex model of hydrogen - bonded crystals with bond defects
It is shown that the percolation model of hydrogen-bonded crystals , which is a 6-vertex model with bond defects, is completely equivalent with an 8-vertex model in an external electric field. Using this equivalence we solve exactly a particular 6-vertex model with bond defects. The general solution for the Bethe-like lattice is also analyzed .
متن کاملRationalizing the Strength of Hydrogen-Bonded of Molybdate-Phosphonic acid Complex (1:2): Density Functional Theory Studies
The relative stability of hydrogen-bonded of Molybdate-Phosphonic Acid (MPA) complex (1:2) ingas phase has been carried out using Density Functional Theory (DFT) methods. The methods are usedfor calculations are B3LYP, BP86 and B3PW91 that have been studied in two series of basis sets: D95**and 6-31+G(d,p) for hydrogen and oxygen atoms; LANL2DZ for Mo and Phosphorus. Predictedhydrogen-bond geom...
متن کاملA Mechanism for the Hydration Force Demonstrated in a Model System
The repulsive hydration force measured between polar surfaces originates from the strongly oriented boundary molecules in hydrogen-bonded liquids. The repulsion is due to the entropy lost (or enthalpy gained) as the surfaces approach, there being fewer configurations which are able to satisfy the boundary conditions without breaking the bond network of the fluid phase. The mechanism is illustra...
متن کاملHalogen-Bonded Co-Crystals of Aromatic N-oxides: Polydentate Acceptors for Halogen and Hydrogen Bonds
Seventeen new halogen-bonded co-crystals characterized by single crystal X-ray analysis are presented from 8 × 4 combinations using methyl-substituted pyridine N-oxides and 1,ω-diiodoperfluoroalkanes. The N−O group in six of 17 co-crystals is monodentate and 11 have μ-O,O bidentate halogen bond acceptor modes. Remarkably, the N−O group in co-crystals of 3-methyl-, 4-methyland 3,4-dimethylpyridi...
متن کاملHydrogen bonding vs. halogen bonding: the solvent decides.
Control of intermolecular interactions is integral to harnessing self-assembly in nature. Here we demonstrate that control of the competition between hydrogen bonds and halogen bonds, the two most highly studied directional intermolecular interactions, can be exerted by choice of solvent (polarity) to direct the self-assembly of co-crystals. Competitive co-crystal formation has been investigate...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2000