All Outputs (2)

A guide to bullvalene stereodynamics † (2024)
Journal Article
Ives, R. A., Maturi, W., Gill, M. T., Rankine, C., & McGonigal, P. R. (2024). A guide to bullvalene stereodynamics †. Chemical Science, 15(36), 14608-14617. https://doi.org/10.1039/d4sc03700f

Here, we analyze the stereodynamic properties of bullvalenes using principal moments of inertia and exit vector plots to draw comparisons with commonly used ring systems in medicinal chemistry. To aid analyses, we first classify (i) the four elementa... Read More about A guide to bullvalene stereodynamics †.

Correlated shapeshifting and configurational isomerization † (2024)
Journal Article
Maturi, W., Hussein, B. A., Rylands, M. K., Bismillah, A. N., Wen, Y., Aguilar, J. A., Ayub, R., Rankine, C. D., & McGonigal, P. R. (2024). Correlated shapeshifting and configurational isomerization †. Chemical Science, 15(36), 14618-14624. https://doi.org/10.1039/d4sc03699a

Herein we demonstrate that the rapid ‘shapeshifting’ constitutional isomerization of a substituted bullvalene is influenced by the E-to-Z configurational isomerization of a remote carbamate group, giving rise to correlated motion. We find that, while... Read More about Correlated shapeshifting and configurational isomerization †.