There are several practical algorithms for building molecular geometries based on bond lengths, bond angles, and torsional angles. There seem to be few discussions of the effect changing one angle has on the remaining bond angles depending upon local symmetry. For example, in methane, CH$_{4}$, the H-C-H bond angles are all tetrahedral, i.e., $\alpha$ = 109.4712206... deg. If one considers CH$_{3}$F, a molecule with C$_{3v}$ symmetry, how are the H-C-F bond angles related to the H-C-H bond angles? This study derives the bond angle relationships for a 4-bonded central atom such as a saturated C atom. For a 4-bonded central atom (6 bond angles) the possible local point group symmetries are T$_{d}$(0), D$_{2d}$(1), C$_{3v}$(1), C$_{2v}$(...
AbstractThe valence shell electron-pair repulsion model successfully accounts for geometrical variat...
Author Institution: Department of Polymer Science and Department of Chemistry, The University of Akr...
The structure of tricyclo-(3.1.002,4)exane has been determined by gas phase electron diffraction. Th...
The rotational symmetry of a methane molecule can be used to great advantage to calculate the bond a...
Trends in bond angle are identified in a systematic study of more than a thousand symmetric A2B tria...
A proof using the methane tetrahedroid bond angle can be obtained by using spherical polar coordinat...
The recent IUPAC recommendation on the definition of hydrogen bonding points out that directionality...
The forces responsible for the observed geometries of the YX3 (Y = N or P; X = H, F, or Cl) molecule...
The 4-31G basis set is used to study the bond length variations as functions of dihedral angels in m...
We studied the characteristic features of single, double aud triple bonds between carbon atoms by id...
The iterative maximum overlap approximation (IMOA) is applied to a series of [n]-rotanes and some re...
The 4-31G basis set is used to study the bond length variations as functions of dihedral angels in m...
The common question of why the tetrahedral angle is 109.471° can be answered using a tetrahedron...
Molecular architecture may be said to have originated in 1874, when J. H. van't Hoff and J. A. le Be...
The tetrahedron is the primary structural motif among the p-block elements and determines the archit...
AbstractThe valence shell electron-pair repulsion model successfully accounts for geometrical variat...
Author Institution: Department of Polymer Science and Department of Chemistry, The University of Akr...
The structure of tricyclo-(3.1.002,4)exane has been determined by gas phase electron diffraction. Th...
The rotational symmetry of a methane molecule can be used to great advantage to calculate the bond a...
Trends in bond angle are identified in a systematic study of more than a thousand symmetric A2B tria...
A proof using the methane tetrahedroid bond angle can be obtained by using spherical polar coordinat...
The recent IUPAC recommendation on the definition of hydrogen bonding points out that directionality...
The forces responsible for the observed geometries of the YX3 (Y = N or P; X = H, F, or Cl) molecule...
The 4-31G basis set is used to study the bond length variations as functions of dihedral angels in m...
We studied the characteristic features of single, double aud triple bonds between carbon atoms by id...
The iterative maximum overlap approximation (IMOA) is applied to a series of [n]-rotanes and some re...
The 4-31G basis set is used to study the bond length variations as functions of dihedral angels in m...
The common question of why the tetrahedral angle is 109.471° can be answered using a tetrahedron...
Molecular architecture may be said to have originated in 1874, when J. H. van't Hoff and J. A. le Be...
The tetrahedron is the primary structural motif among the p-block elements and determines the archit...
AbstractThe valence shell electron-pair repulsion model successfully accounts for geometrical variat...
Author Institution: Department of Polymer Science and Department of Chemistry, The University of Akr...
The structure of tricyclo-(3.1.002,4)exane has been determined by gas phase electron diffraction. Th...