Open AccessCorrelation of nonorthogonality of best hybrid bond orbitals with bond strength of orthogonal orbitals
Author(s) -
Linus Pauling
Publication year - 1976
Publication title -
proceedings of the national academy of sciences of the united states of america
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.011
H-Index - 771
eISSN - 1091-6490
pISSN - 0027-8424
DOI - 10.1073/pnas.73.2.274
Subject(s) - molecular orbital , atomic orbital , natural bond orbital , molecular orbital theory , physics , localized molecular orbitals , orbital hybridisation , slater type orbital , linear combination of atomic orbitals , orbital overlap , valence bond theory , molecular orbital diagram , chemistry , molecular physics , atomic physics , quantum mechanics , density functional theory , molecule , electron
An expression is derived for the bond length of twospd orbitals with maximum values in two directions forming a given bond angle by consideration of the nonorthogonality integral of two best orbitals in these directions. This equation is equivalent to the expression derived by formulating the pair of orthogonal orbitals. Similar expressions are derived forspdf orbitals. Applications are made to icosahedral and cuboctahedral bonds and to the packing of nucleons in atomic nuclei.