The naissance of VB and quantum chemistryHL-WavefunctionE:HHb41W.HeitlerF.LondonZeits.fur Physik.44, 455(1927)InteractionBetweenNeutral Atoms and HomopolarIn 1927 theHeitler-London theory was formulated to show how twohydrogen atomwavefunctions join together, with plus, minus, and exchange terms, to form a covalent bond
Zeits. für Physik. 44, 455 (1927). Interaction Between Neutral Atoms and Homopolar W. Heitler F. London In 1927 the Heitler–London theory was formulated to show how two hydrogen atom wavefunctions join together, with plus, minus, and exchange terms, to form a covalent bond. The naissance of VB and quantum chemistry
Thecontributions ofPaulingAO@BOsBACBAL.PaulingPaulingconstructedageneralquantumchemicaltheoryforpolyatomicmolecules.Hedevelopedthenotionofhybridization,thecovalent-ionicsuperposition,andtheresonatingbenzenepictureTheNatureoftheChemicalBond,CornellUniversityPress,IthacaNewYork,1939(3rdEdition,1960)
The Nature of the Chemical Bond, Cornell University Press, Ithaca New York,1939 (3rd Edition, 1960). L. Pauling A B A B A B A B Pauling constructed a general quantum chemical theory for polyatomic molecules. He developed the notion of hybridization, the covalent-ionic superposition, and the resonating benzene picture. The contributions of Pauling
Classical VB theoryThe pair bonding ideas of LewisThe Heitler-London theoryResonance(1928)Hybrid orbitals (1930)
The pair bonding ideas of Lewis The Heitler–London theory Resonance (1928) Hybrid orbitals (1930) Classical VB theory
Molecular orbital theoryOriginally called the Hund-Mulliken theory, introduced byMullikenin1932.J.C. Slater:F.Hund: J.Lennard-Jones...Thefirstaccurate calculation of a molecular orbitalwavefunction was that made in 1938 on the hydrogenmoleculeR.S.MullikenFrom 1950s
R. S. Mulliken J. C. Slater; F. Hund; J. Lennard-Jones. Molecular orbital theory Originally called the Hund-Mulliken theory, introduced by Mulliken in 1932. The first accurate calculation of a molecular orbital wavefunction was that made in 1938 on the hydrogen molecule. From 1950s
共振论与化学键概念直接联系，成功地应用到所有化学结构和所有化学问题L.Pauling, TheNatureoftheChemical Bond, Cornell University,Press, IthacaNewYork,1939(3rdEdition,1960)G.W.Wheland,ResonanceinOrganicChemistry,Wiley,NewYork,1955相反地，MO理论直接与已有的化学思想概念抵触VB理论统治着人们对化学的理解
共振论与化学键概念直接联系，成功地应用到所有化学结构和所有化学问题 L. Pauling, The Nature of the Chemical Bond, Cornell University, Press, Ithaca New York, 1939 (3rd Edition, 1960). G.W. Wheland, Resonance in Organic Chemistry，Wiley, New York, 1955. 相反地，MO理论直接与已有的化学思想概念抵触 VB理论统治着人们对化学的理解