one-dimensional treatment of hydrogen bond part 2
نویسندگان
چکیده
the potential function of lippincott and schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. the parameters originally introduced to the potential function by lippincott and schroeder have been determined from the structural parameters such as 0.. .odistance 0-h bond distance, h.. .o distance and hoo angle. thevalidity of harmonic oscillator approximation for calculation of oh stretching frequency from the second derivative of this serniempirical potential function has been investigated.
منابع مشابه
ONE-DIMENSIONAL TREATMENT OF HYDROGEN BOND PART 2
The potential function of Lippincott and Schroeder for linear hydrogen bond has been re-examined and extended to nonlinear hydrogen bond. The parameters originally introduced to the potential function by Lippincott and Schroeder have been determined from the structural parameters such as 0.. .Odistance 0-H bond distance, H.. .O distance and HOO angle. Thevalidity of harmonic oscillator appr...
متن کاملONE-DIMENSIONAL TREATMENT OF HYDROGEN BOND PART1 THE CASE OF THE LINEAR HYDROGENBOND
The one-dimensional model of Lippincott and Schroeder for hydrogen bond has Been re-examined and it has been shown that O-H bond distance depends on repulsive van der Waals and attractive electrostatic potentials.it has been shown that constant b in the van der Waals repulsion potential is not transferable to all hydrogen bonds. The possibility of obtaining the semi-empircal parameters i...
متن کاملone-dimensional treatment of hydrogen bond part1 the case of the linear hydrogenbond
the one-dimensional model of lippincott and schroeder for hydrogen bond has been re-examined and it has been shown that o-h bond distance depends on repulsive van der waals and attractive electrostatic potentials.it has been shown that constant b in the van der waals repulsion potential is not transferable to all hydrogen bonds. the possibility of obtaining the semi-empircal parameters in the l...
متن کاملMyths in Modern Science: The Hydrogen Bond and its Surroundings. Part 1. The Hydrogen-Bond-Myth
Widespread arguments of the hydrogen bond are criticized with respect to theories of protein folding and interactions of proteins with their specific ligands. Contrary to popular belief, by no means does the hydrogen bond play an important role in determining the conformation of proteins and the interactions of proteins with specific substrates. Stereotypical thinking on the hydrogen bond const...
متن کاملStructural investigation of a hydrogen bond order-disorder transition in a polar one-dimensional confined ice.
The hydrogen-bond arrangement within crystalline 2,3,6,7,10,11-hexahydroxytriphenylene tetrahydrate (HHTP·4H2O) undergoes an order-disorder transition at 240 K, as evidenced by the emergence and disappearance of systematic absence violations in variable-temperature single-crystal X-ray diffraction measurements. The low-temperature ordered phase is polar with ferroelectric coupling between neigh...
متن کاملThe One Dimensional Hydrogen Atom Revisited
The one dimensional Schrödinger hydrogen atom is an interesting mathematical and physical problem to study bound states, eigenfunctions and quantum degeneracy issues. This 1D physical system gave rise to some intriguing controversy over more than four decades. Presently, still no definite consensus seems to have been reached. We reanalyzed this apparently controversial problem, approaching it f...
متن کاملمنابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
journal of sciences islamic republic of iranجلد ۷، شماره ۲، صفحات ۰-۰
میزبانی شده توسط پلتفرم ابری doprax.com
copyright © 2015-2023