Substituent effects on the UV-visible spectrum and excited electronic states of dithiocarboxylates.

The absorption spectra of a series of dithiocarboxylates were investigated in the ultraviolet-visible region. Two questions that this study aimed to address were as follows: (1) What transitions give rise to the features in the electronic spectra? And (2) what are the long- and short-range substituent effects on the absorption spectra? A series of 11 dithiocarboxylates were prepared as organic soluble salts. Time-dependent density functional theory (TDDFT) was used to calculate excited state energies and oscillator strengths of electronic transitions.

Synthesis, characterization, and electrochemical properties of a first-row metal phthalocyanine series.

The synthesis and characterization of a 3d-metallophthalocyanine series (OEtPcM; OEtPc = 1,4,8,11,15,18,22,25-octaethoxy-phthalocyanine; M = VO, Cr, MnCl, MnN, Fe, Co, Ni, Cu, Zn) is presented. With the exception of OEtPcZn, all species were crystallographically characterized, including the protonated (OEtPcH2) and partially lithiated (OEtPcHLi) precursors. The electrochemical behavior of all species - displaying a mix of metal- and ligand-borne redox events - was investigated and tentatively correlated to the structural properties.