Dr Dmitry Yufit's Outputs (3)

Revealing Resonance Effects and Intramolecular Dipole Interactions in the Positional Isomers of Benzonitrile-Core Thermally Activated Delayed Fluorescence Materials (2019)
Journal Article
Kukhta, N., Higginbotham, H., Matulaitis, T., Danos, A., Bismillah, A., Haase, N., Etherington, M., Yufit, D., McGonigal, P., Gražulevičius, J., & Monkman, A. (2019). Revealing Resonance Effects and Intramolecular Dipole Interactions in the Positional Isomers of Benzonitrile-Core Thermally Activated Delayed Fluorescence Materials. Journal of Materials Chemistry C Materials for optical and electronic devices, 7(30), 9184-9194. https://doi.org/10.1039/c9tc02742d

We report on the properties of the three positional isomers of (2,7-di-tert-butyl-9,9-dimethylacridin-10(9H)-yl)benzonitrile, which are found to have comparable donor steric environments and donor–acceptor dihedral angles. An unexpected intramolecula... Read More about Revealing Resonance Effects and Intramolecular Dipole Interactions in the Positional Isomers of Benzonitrile-Core Thermally Activated Delayed Fluorescence Materials.

A spectroscopic and computationally minimal approach to the analysis of charge transfer processes in conformationally fluxional mixed‐valence and hetero‐bimetallic complexes (2019)
Journal Article
Low, P. J., Gückel, S., Gluyas, J. B., Eaves, S. G., Safari, P., Yufit, D. S., Sobolev, A. N., & Kaupp, M. (2019). A spectroscopic and computationally minimal approach to the analysis of charge transfer processes in conformationally fluxional mixed‐valence and hetero‐bimetallic complexes. Chemistry - A European Journal, 25(37), 8837-8853. https://doi.org/10.1002/chem.201901200

Climate warming is supposed to enlarge the area climatically suitable to the naturalization of alien garden plants in temperate regions. However, the effects of a changing climate on the spread of naturalized ornamentals have not been evaluated by sp... Read More about A spectroscopic and computationally minimal approach to the analysis of charge transfer processes in conformationally fluxional mixed‐valence and hetero‐bimetallic complexes.

Sensitivity of Magnetic Anisotropy in the Solid State for Lanthanide Complexes with Small Crystal Field Splitting (2019)
Journal Article
Vonci, M., Mason, K., Neil, E. R., Yufit, D. S., McInnes, E. J., Parker, D., & Chilton, N. F. (2019). Sensitivity of Magnetic Anisotropy in the Solid State for Lanthanide Complexes with Small Crystal Field Splitting. Inorganic Chemistry, 58(9), 5733-5745. https://doi.org/10.1021/acs.inorgchem.9b00060

Knowledge of the crystal structure of a monometallic inorganic molecule is often sufficient to calculate its electronic structure and interpret its magnetic properties. Here we show that for a series of nine-coordinate lanthanide complexes based on t... Read More about Sensitivity of Magnetic Anisotropy in the Solid State for Lanthanide Complexes with Small Crystal Field Splitting.