Chapter 1 normal and theoretical points (pages 1–60): C. Sandorfy
Chapter 2 equipment of formation of the carbon?nitrogen double bond (pages 61–147): Shlomo Dayagi and Yair Degani
Chapter three research of azomethines (pages 149–180): David J. Curran and Sidney Siggia
Chapter four The optical rotatory dispersion and round dichroism of azomethinies (pages 181–234): R. Bonnett
Chapter five simple and complex?forming homes (pages 235–253): J. W. Smith
Chapter 6 Additions to the azomethine team (pages 255–298): Karou Harada
Chapter 7 Cycloaddition reactions of carbon–nitrogen double bonds (pages 299–326): Jean?Pierre Anselme
Chapter eight Substitution reactions on the azomethine carbon and nitrogen atoms (pages 327–362): R. J. Morath and Gardner W. Stacy
Chapter nine syn?anti Isomerizations and rearrangements (pages 363–464): C. G. McCarty
Chapter 10 Cleavage of the carbon–nitrogen double bond (pages 465–504): Albert Bruylants and Mrs. E. Feytmants?de Medicis
Chapter eleven Electrochemistry of the carbon–nitrogen double bond (pages 505–564): Henning Lund
Chapter 12 Photochemistry of the carbon?nitrogen double bond (pages 565–596): Gunnar Wettermark
Chapter thirteen Imidoyl halides (pages 597–662): R. Bonnett
Chapter 14 Quinonediimines and similar compounds (pages 663–729): okay. Thomas Finley and L. ok. J. Tong
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Additional resources for Carbon-Nitrogen Double Bonds (1970)
I t is partially allowed for through configuration interaction. Four configurations are possible for our two-electron system. I n the one of lowest energy both . electrons will be in g41. This is necessarily ir singlet. Then we can excite arl electron to g42, thereby freeing the spins. r triplet. Finally both electrons can be put into 42. --l El lE 2 E2 I E3 The antisymmetrized total wave functions corresponding to these configurations are, with the bar meaning fi spin: 26 C. -H o p ) c 112 (41) where T(1) and T ( 2 )represent the kinetic energies of electrons ( 1 ) and (2), and -ZYo(2)the potential energies arising from thc interactions of electrons (1) and (2) wirh the core that remains of the system if we formally remove the two T electrons.
The total electronic energy turned out to be - 29-24 ev. 85 ev. 97 ev 7-05 ev Next, configuration interaction was applied. 80 0-87 -E (58) 1. 000267. This again depends on the original choice of the Huckel coefficients but the final results do not. In ethylene the singly excited configuration has different symmetry from the two others, so that this term and the 2-3 term (here 0-87) are exactly zero. The ground state interacts more strongly with the doubly excited state and this causes a lowering of its dipole moment.
B. The a Electrons; a Hiickel-type Culculation The a framework has not Enti1 now been explicitly considered. I n the present section a Huckel-type calculation concerning the (3 electrons will be presented. Early works on a-electron systems were based on bond or group orbitals 7 8 . The first ‘individual electron’ calculations on saturated hydrocarbons and their derivatives based on modified Huckel methods were made by Sandorfy and Daudele0, Sandorfy81, Fukui, Kato and Y o n e ~ a w a ~K~l ’~~p~m, a n ~and * - were ~ ~ followed by the ‘extended Huckel method’ of Hoffmanne6,who used the Wolfsberg C.
Carbon-Nitrogen Double Bonds (1970)