Theory of the Ultraviolet Absorption Spectrum of Diphenyl |
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2p electrons A. L. Sklar aB-Ba ABSORPTION SPECTRUM antisymmetric aß-Ba becomes benzene energy levels benzene functions benzene orbitals benzene rings bracket C₂ calculation carbon atom carbon ion CATHOLIC UNIVERSITY coefficients Coulomb energy determinant diphenyl exchange integrals e2 SS electron in ring electronic interaction energy equations evaluated excited factor ƒ ƒ given in Eq given in Table Goeppert-Mayer and Sklar ground H₁ Hamiltonian integral is zero integrals involving interaction energy terms interchange internuclear distances irreducible representations level in benzene linear combinations molecular orbitals molecule N₁ neighbors nuclear interaction energy numerical values obtained one-electron orbitals orthogonal overlap integrals PA.B permutations Phys possible result rotation set of integrals similar Similarly spin function symmetry operations tions ultraviolet absorption UNIVERSITY OF AMERICA unperturbed V₁ vibrational volts wave functions XOAXSB α β α α Σ β α β Γυμ Τνμ ΦΙΑ ГР