Shapeshifting molecules: the story so far and the shape of things to come

AN Bismillah, BM Chapin, BA Hussein… - Chemical …, 2020 - pubs.rsc.org
Shapeshifting molecules exhibit rapid constitutional dynamics while remaining stable,
isolable molecules, making them promising artificial scaffolds from which to explore complex …

Guest‐Dependent Isomer Convergence of a Permanently Fluxional Coordination Cage

AP Birvé, HD Patel, JR Price, WM Bloch… - Angewandte …, 2022 - Wiley Online Library
A fluxional bis‐monodentate ligand, based on the archetypal shape‐shifting molecule
bullvalene, self‐assembles with M2+ (M= Pd2+ or Pt2+) to produce a highly complex …

Can density functional theory 'Cope'with highly fluxional shapeshifting molecules?

A Karton - Chemical Physics, 2021 - Elsevier
Shape-shifting molecules such as bullvalene undergo rapid structural reorganizations via
degenerate Cope rearrangements. Here, we obtain accurate CCSD (T)/CBS barrier heights …

A guide to bullvalene stereodynamics

RA Ives, W Maturi, MT Gill, C Rankine… - Chemical …, 2024 - pubs.rsc.org
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 …

Boronate ester bullvalenes

HD Patel, TH Tran, CJ Sumby… - Journal of the …, 2020 - ACS Publications
Boronate ester bullvalenes are now accessible in two to four operationally simple steps. This
unlocks late-stage diversification through Suzuki cross-coupling reactions to give mono-, di …

Reversible Restrain and Release of the Dynamic Valence Isomerization in a Shape‐shifting Bullvalene by Complex Formation

C Dohmen, T Paululat, H Ihmels - Chemistry–A European …, 2024 - Wiley Online Library
In search for structural features that enable the control of the valence isomerization of the
fluxional bullvalene, a bullvalene‐bis (harmane) conjugate is identified that acts as chelating …

Correlated shapeshifting and configurational isomerization

BA Hussein, W Maturi, MK Rylands, AN Bismillah… - Chemical …, 2024 - pubs.rsc.org
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 …

Total synthesis of endiandric acid J and beilcyclone A from cyclooctatetraene

O Yahiaoui, A Almass, T Fallon - Chemical Science, 2020 - pubs.rsc.org
The endiandric acids are classic targets in natural product synthesis. The spectacular 8π/6π-
electrocylisation/intramolecular Diels–Alder (8π/6π/IMDA) reaction cascade at the heart of …

Correlated shapeshifting and configurational isomerization

W Maturi, BA Hussein, MK Rylands… - Chemical …, 2024 - durham-repository.worktribe.com
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 …

Stereomutation of substituted bullvalenes

O Yahiaoui, HD Patel, KS Chinner, LF Pašteka… - Organic …, 2020 - ACS Publications
The stereomutation of substituted bullvalenes is an inevitable consequence of the valence
isomerism that automerizes this unique fluxional hydrocarbon. The introduction of external …