Geometry-controlled reactivity and dynamics in organic molecules

PK Saha, T Tran Ngoc, PR McGonigal, JF Teichert - Nature Synthesis, 2024 - nature.com
It is well established that strain in organic molecules is linked to having nonideal bond
lengths, bond angles and unfavourable non-covalent interactions. The constrained …

Molecular Ball Joints: Mechanochemical Perturbation of Bullvalene Hardy–Cope Rearrangements in Polymer Networks

PB Sun, MN Pomfret, MJ Elardo, A Suresh… - Journal of the …, 2024 - ACS Publications
The solution-state fluxional behavior of bullvalene has fascinated physical organic and
supramolecular chemists alike. Little effort, however, has been put into investigating …

A shapeshifting roadmap for polycyclic skeletal evolution

A Sanchez, A Gurajapu, W Guo, WY Kong… - Journal of the …, 2023 - ACS Publications
Polycyclic ring systems are ubiquitous three-dimensional (3D) structural motifs central to the
function of many biologically active small molecules and organic materials. Indeed, subtle …

Stochastic Bullvalene Architecture Modulates Structural Rigidity in π‐Rich Macromolecules

MN Pomfret, PB Sun, Z Huang… - Angewandte Chemie …, 2023 - Wiley Online Library
The synthesis and processing of π‐rich polymers found in novel electronics and textiles is
difficult because chain stiffness leads to low solubility and high thermal transitions. The …

Taming shapeshifting anions: total synthesis of ocellatusone C

A Sanchez, TJ Maimone - Journal of the American Chemical …, 2022 - ACS Publications
Guided by a synthetic design aimed at late-stage diversification, we report the preparation of
unusual shapeshifting anions and their subsequent application to the total synthesis of the …

Parallel Chirality Inductions in Möbius Zn (II) Hexaphyrin Transformation Networks

T Nédellec, B Boitrel, S Le Gac - Journal of the American …, 2023 - ACS Publications
Networked chemical transformations are key features of biological systems, in which
complex multicomponent interactions enable the emergence of sophisticated functions …

Quantum mechanical tunnelling: the missing term to achieve sub-kJ mol− 1 barrier heights

S Kozuch, T Schleif, A Karton - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
To predict barrier heights at low temperatures, it is not enough to employ highly accurate
electronic structure methods. We discuss the influence of quantum tunnelling on the …

Shape‐Shifting Molecules: Unveiling the Valence Tautomerism Phenomena in Bare Barbaralones

M Sanz‐Novo, M Mato, Í León… - Angewandte Chemie …, 2022 - Wiley Online Library
We report a state‐of‐the‐art spectroscopic study of an archetypical barbaralone,
conclusively revealing the valence tautomerism phenomena for this bistable molecular …

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 …

Modular, Enantioselective Entry into Polysubstituted Shapeshifting Molecules

A Sanchez, VM Gonzalez, J Sakamoto… - Journal of the …, 2024 - ACS Publications
Dynamic, shapeshifting hydrocarbons have emerged as enabling frameworks across drug
discovery, materials science, and catalysis. Their employment, however, is often hampered …