Rd. Harcourt, CHEMICAL BONDING VIA BOHR CIRCULAR ORBITS AND A 2NXN FACTORIZATION OF2N(2), Journal of molecular structure. Theochem, 338, 1995, pp. 195-213
One type of Bohr orbit approach to descriptions of the electronic stru
ctures of atoms and molecules is based on a 2n x n factorization of th
e atomic shell-structure formula 2n(2). It involves n circular orbits
with principal quantum number n, each of which may accommodate a maxim
um of 2n electrons. Aspects of a previously published account of this
type of orbit theory are reviewed for compounds of main-group elements
, and for several transition metal complexes. New types of orbit diagr
ams are provided for some of the systems considered previously. The th
eory provides a straightforward representation for the tetrahedral car
bon atom. Attention is given to orbit diagrams for a variety of hyperc
oordinate systems, and to the general reluctance of atoms of first-row
elements to form stable hypercoordinate compounds. Orbit diagrams for
two elementary triatomic reactions are also provided, and examples ar
e provided of new types of Bohr orbit calculations of the energies for
H-2(+) and H-2.