No abstract

No abstract

Isomers of linear polyenes are counted by excluding structures of immediate steric strain, namely, those with any occurrence of three or four consecutive cis configurations.

Two ways of evaluating alkenes taking cis-trans isomerism into account are pursued, one using the Redfield-Po ´lya theorem, the other doing without. The geometric isomers of aliphatic cyclopropane derivatives are also enumerated and tabulated.

The chiroptical properties associated with the d-d and low-lying charge-transfer transitions in a series of four-coordinate and six-coordinate Cu(II)-dipeptide and Cu(II)-dipeptide amide complexes are calculated on a semiempirical molecular orbital model. Electronic rotatory strengths are calculated directly using wave functions of the entire complex generated from the molecular orbital model. Excited states are constructed in the virtual orbital approximation and electric and magnetic dipole transition integrals are computed including all one-, two-, and three-center contributions. The results are compared to those obtained using other theoretical models of molecular optical activity, to semiempirically derived spectra-structure relationships and rules formulated for pseudotetragonal metal complexes, and to empirical data.