Direct calculation of the bond order matrix in the molecular orbital theory of conjugated systems

1963 ◽  
Vol 6 (1) ◽  
pp. 85-92 ◽  
Author(s):  
H. Looyenga
Keyword(s):  
Molecular Orbital ◽  
Bond Order ◽  
Direct Calculation ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Conjugated Systems ◽  
Order Matrix

The electron pairing theory of the structure of conjugated hydrocarbons

1949 ◽  
Vol 199 (1059) ◽  
pp. 487-499 ◽  
Keyword(s):  
Molecular Structure ◽  
Molecular Orbital ◽  
Force Constants ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Electron Pairing ◽  
Conjugated Systems ◽  
Conjugated Hydrocarbons ◽  
Internuclear Distances

The electron pairing theory of molecular structure has been extended in its application to conjugated hydrocarbons. Formulae for calculating internuclear distances, force constants and interaction constants are derived. These appear to give rather better results than the already successful molecular orbital theory. The interaction of two conjugated systems is discussed, and it is shown how the conjugating power of a hydrocarbon residue may be correlated with its residual affinity

scholarly journals An advanced trick to calculate the molecules and ions bond order with practical application

2021 ◽  
Author(s):  
CI Chemistry International
Keyword(s):  
Molecular Orbital ◽  
Bond Order ◽  
Electronic Configuration ◽  
Molecular Orbital Theory ◽  
Practical Application ◽  
Orbital Theory ◽  
Time Saving ◽  
New Formula ◽  
Acceptable Theory

Every molecule has two or more atoms linked to each other through a bond. The number of bonds between two atoms is called bond order. Hence, the bond order gives information about the total number of bonds between two atoms. Besides, different methods and definitions have been given to find out an exact bond order based on various theories. The most acceptable theory to find an exact bond order is the molecular orbital theory. Using this theory, the whole electronic configuration of the molecule is written first, then total electrons present in bonding orbitals as well as antibonding orbitals are counted. After that, the bond order is calculated using an old and time-consuming formula. The presented paper describes an advanced, easy, and time-saving method, named as an advanced trick/method, with a new formula to find out an exact bond order. In this trick, only total electrons and the number of antibonding electrons is considered to calculate the bond order using developed strategy with practical examples.

Sign in / Sign up

Export Citation Format

Share Document