Extended tight‐binding quantum chemistry methods

C Bannwarth, E Caldeweyher, S Ehlert… - Wiley …, 2021 - Wiley Online Library
This review covers a family of atomistic, mostly quantum chemistry (QC) based
semiempirical methods for the fast and reasonably accurate description of large molecules …

Recent advances of group 14 dimetallenes and dimetallynes in bond activation and catalysis

F Hanusch, L Groll, S Inoue - Chemical Science, 2021 - pubs.rsc.org
Since the first heavy alkene analogues of germanium and tin were isolated in 1976, followed
by West's disilene in 1981, the chemistry of stable group 14 dimetallenes and dimetallynes …

Beyond steric crowding: dispersion energy donor effects in large hydrocarbon ligands

KL Mears, PP Power - Accounts of Chemical Research, 2022 - ACS Publications
Conspectus Interactions between sterically crowded hydrocarbon-substituted ligands are
widely considered to be repulsive because of the intrusion of the electron clouds of the …

Main group multiple bonds for bond activations and catalysis

C Weetman - Chemistry–A European Journal, 2021 - Wiley Online Library
Since the discovery that the so‐called “double‐bond” rule could be broken, the field of
molecular main group multiple bonds has expanded rapidly. With the majority of …

An update on multiple bonding between heavier main group elements: the importance of Pauli repulsion, charge-shift character, and London dispersion force effects

PP Power - Organometallics, 2020 - ACS Publications
An update on some recent developments in the bonding of compounds with multiple bonds
between heavier main group elements is the major theme of this review. A brief historical …

A Silylene‐Stabilized Germanium Analogue of Alkynylaluminum

M Chen, B Lei, X Wang, H Rong… - Angewandte Chemie …, 2022 - Wiley Online Library
In contrast to the well‐developed metal acetylides, the heavier analogues of the type REEM
(E= Si, Ge, Sn, Pb; M= metals) have not been reported to date. Herein, we describe the …

London Dispersion Effects on the Stability of Heavy Tetrel Molecules

KL Mears, PP Power - Chemistry–A European Journal, 2023 - Wiley Online Library
London dispersion (LD) interactions, which stem from long‐range electron correlations
arising from instantaneously induced dipoles can occur between neighboring atoms or …

Quantum chemical calculations and machine learning predictions innovate synthesis for high-performance optical gold nanorods

J Yin, H Wu, J Zhang, S Wu, H Zheng, F Zhao… - Chemistry of …, 2022 - ACS Publications
Understanding the optical properties of gold nanorods (GNRs) in the colloidal state is crucial
to engineering them for versatile applications in many fields. Concomitant gold nanospheres …

Crystalline boragermenes

B Rao, R Kinjo - Angewandte Chemie, 2020 - Wiley Online Library
Boragermene 3 featuring a double bond between the Ge and dicoordinate B atoms has
been synthesized for the first time by reacting the cyclic (alkyl)(boryl) germylene–PMe3 …

Dispersion Stabilizes Metal–Metal Bonds in the 1, 8-Bis (silylamido) naphthalene Ligand Environment

NJ Roberts, ER Johnson, SS Chitnis - Organometallics, 2022 - ACS Publications
There is emerging consensus that stabilization of weak bonds using bulky substituents
operates not only by steric shielding but also by boosting the dispersive attraction across the …