Main Title |
Derivation and Significance of Valence Molecular Connectivity. |
Author |
Kier, L. B. ;
Hall, L. H. ;
|
CORP Author |
Virginia Commonwealth Univ., Richmond.;Environmental Research Lab.-Duluth, MN. |
Year Published |
1981 |
Report Number |
EPA-R-808923; EPA-600/J-81-655; |
Stock Number |
PB84-116706 |
Additional Subjects |
Molecular structure ;
Drugs ;
Valence ;
Electronegativity ;
Reprints ;
Molecular connectivity index ;
Numerical solution
|
Holdings |
Library |
Call Number |
Additional Info |
Location |
Last Modified |
Checkout Status |
NTIS |
PB84-116706 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
Collation |
10p |
Abstract |
The physical basis for valence molecular connectivity was studied. The sigma sup upsilon and sigma values are cardinal numbers describing the electronic structure of atoms in their valence states. The value (sigma sup upsilon) + (sigma) describes the volume of a bonding atom while the value (sigma sup upsilon) - (sigma) describes the electronegativity. The valence chi index is interpreted in terms of the information encoded, describing both the volume and electronic characteristics of bonds in molecules. Examples of close relationships with molecular volume and electronic properties are shown. A new way of estimating valence state electronegativity is proposed from a count of exterjacent electrons divided by the quantum number squared for at least the first three quantum levels. |