Knowledge Bank

The lower-energy electronic states (singlets and triplets) of benzylimine (phenyl-CH=NH) and several related isoelectronic monosubstituted benzene molecules (phenyl$-X;X=-CH=NH2\mathrm{<mrow\; data-mjx-texclass="ORD">+</mrow>},-CH=CH2,-CHO,-N=NH)$ are discussed in the context of all-valence-electron molecular orbital (CNDO/m-CT) computational results. Specific reference is made to correlations of: 1. low-energy on $(A\prime )$ and $(A\prime )$ singlet and triplet states; 2. state dependence of charge densities; 3. oscillator strengths; 4. cis-, trans-isomerism; 5. chemical ionization induced state variations. New spectroscopic data are presented for benzylimine (N-methyl). These new data and the existent literature on remaining isoelectronic molecules are interpreted by analogy with quantum chemical computations.