Daniel R. Tackley

TL;DR: In this article, the authors used Raman scattering for a range of metal phthalocyanines using excitation frequencies from 457.9 to 1064 nm and found that the frequency of one band with a large C-N-C ring displacement is particularly sensitive to the metal ion size.

TL;DR: In this paper, density functional theory (DFT) calculations have been used to predict the IR and Raman spectra for zinc phthalocyanine (ZnPc) polymorphic form.

TL;DR: The crystal and molecular structure of 1 b and [1 b]SbCl(6), the first tetraphenyl benzidene derivatives to be characterised crystallographically in both the neutral and radical cation states, reveal molecular parameters in agreement with the predictions made on the basis of DFT studies.

TL;DR: In this paper, the influence of molecular conformation on the oxidation potential and electronic structure associated with several TPD-style hole transport materials has been assessed through a combination of single crystal X-ray diffraction, electrochemical and spectroelectrochemical methods and DFT calculations.

TL;DR: The synthesis of seven monoazo benzotriazole dyes for use in surface enhanced resonance Raman scattering, SERRS, is reported and one dye was examined in detail and showed a quantitative relationship between concentration and signal intensity.