“Polytopal Rearrangement Model of Stereoisomerization” and Its Potential as the Basis for a Systematic Model of All Stereoisomerism

PJ Canfield, JR Reimers… - ACS Organic & Inorganic …, 2024 - ACS Publications
The term “polytopal rearrangement” describes any shape changing process operating on a
coordination “polyhedron”─ the solid figure defined by the positions of the ligand atoms …

[图书][B] The Symmetry Properties of Nonrigid Molecules

GS Ezra, GS Ezra - 1982 - Springer
In this chapter we consider the theory of the symmetry properties of nonrigid molecules
(NRMs). This problem has been widely discussed in recent years, with the interpretation and …

Introduction to group theory for non-rigid molecules

YG Smeyers - Advances in quantum chemistry, 1992 - Elsevier
Publisher Summary This chapter provides a general description of Group Theory for Non-
rigid Molecules, and reviews the Longuet–Higgins and Altmann's points of view. A new …

Molecular and crystal structures of noble gas compounds

SS Nabiev, VB Sokolov… - Russian Chemical …, 2014 - iopscience.iop.org
Data on the structures of xenon and krypton compounds in various physical states are
analyzed and generalized. The structures of simple, coordination, polymeric and clathrate …

Heavy atom tunnelling on XeF 6 pseudorotation

I Sedgi, S Kozuch - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
The uncertainty on XeF6 geometry persisted for over five decades, with elusive multiple C3v
equivalent minima as an outcome of the Jahn–Teller effect. Herein we theoretically prove …

Symmetry properties of graphs of interest in chemistry. II. Desargues–Levi graph

M Randić - International Journal of Quantum Chemistry, 1979 - Wiley Online Library
Abstract The Desargues–Levi graph represents important chemical transformations:(1)
isomerization routes for some carbonium ion rearrangements,(2) isomerization of trigonal …

On Invariance of Localized Hamiltonians Under Feasible Elements of the Nuclear Permutation‐Inversion Group

GA Natanson - Advances in chemical physics, 1985 - Wiley Online Library
56 GA NATANSON appear, but then the accurate symmetry group is necessarily a subgroup
of the approximate one. In particular, there must be a way to cast an approximate …

Ab initio investigation of chlorine fluorides CIFitk (k= 1–7).

VL Pershin, AI Boldyrev - Journal of Molecular Structure: THEOCHEM, 1987 - Elsevier
Ab initio calculations using the double-zeta Huzinaga—Dunning—Veillard basis have been
performed for the chlorine fluorides CIF itk (k= 1–7). A detailed discussion of the geometrical …

Algebraic characterization of bridged polycyclic compounds

O Mekenyan, D Bonchev… - International Journal of …, 1981 - Wiley Online Library
An approach based on the topological distance matrix is used for algebraic characterization
of bridged polycyclic compounds. The classical bridged structures which have external …

Raman study of molecular dynamics of inorganic fluoroxidizers in nonaqueous solutions: Part 4. Xenon tetrafluoride and xenon hexafluoride in hydrogen fluoride

SS Nabiev - Spectrochimica Acta Part A: Molecular and …, 2000 - Elsevier
Raman spectra of XeF4 and XeF6 in the nonaqueous HF solutions at various concentrations
and vibrational spectra of the [XeF5]+ cation in the solid state and in the HF solutions over a …