N-heterocyclic carbene adducts of main group elements and their use as ligands in transition metal chemistry

A Doddi, M Peters, M Tamm - Chemical reviews, 2019 - ACS Publications
N-Heterocyclic carbenes (NHC) are nowadays ubiquitous and indispensable in many
research fields, and it is not possible to imagine modern transition metal and main group …

The key role of R–NHC coupling (R= C, H, heteroatom) and M–NHC bond cleavage in the evolution of M/NHC complexes and formation of catalytically active species

VM Chernyshev, EA Denisova, DB Eremin… - Chemical …, 2020 - pubs.rsc.org
Complexes of metals with N-heterocyclic carbene ligands (M/NHC) are typically considered
the systems of choice in homogeneous catalysis due to their stable metal–ligand framework …

A triplet stibinidene

M Wu, H Li, W Chen, D Wang, Y He, L Xu, S Ye, G Tan - Chem, 2023 - cell.com
Summary Pnictinidenes (RE, where E= P, As, Sb, or Bi) are long-sought-after reactive
species. They feature either a singlet or triplet ground state depending on the electronic …

Dihydrogen and Ethylene Activation by a Sterically Distorted Distibene

Y Pang, M Leutzsch, N Nöthling… - Angewandte Chemie …, 2023 - Wiley Online Library
Herein, we report the synthesis of a sterically distorted distibene ([4] 2) and its transition‐
metal‐like reactivity towards two fundamental feedstock chemicals: H2 and ethylene …

Carbodiphosphorane-Activated Distibene and Dibismuthene Dications

P Dabringhaus, A Molino… - Journal of the American …, 2024 - ACS Publications
Low-valent antimony and bismuth have emerged as novel platforms for achieving reversible
small-molecule activation at main-group metals. Although various examples of oxidative …

Local energy decomposition of open-shell molecular systems in the domain-based local pair natural orbital coupled cluster framework

A Altun, M Saitow, F Neese… - Journal of chemical theory …, 2019 - ACS Publications
Local energy decomposition (LED) analysis decomposes the interaction energy between
two fragments calculated at the domain-based local pair natural orbital CCSD (T)(DLPNO …

Finding chemical concepts in the Hilbert space: Coupled cluster analyses of noncovalent interactions

G Bistoni - Wiley Interdisciplinary Reviews: Computational …, 2020 - Wiley Online Library
Noncovalent interactions (NCIs) play a major role in essentially all fields of chemical
research. Energy decomposition analysis (EDA) schemes provide in‐depth insights into …

Advances and Prospects in Understanding London Dispersion Interactions in Molecular Chemistry

L Rummel, PR Schreiner - Angewandte Chemie International …, 2024 - Wiley Online Library
London dispersion (LD) interactions are the main contribution of the attractive part of the van
der Waals potential. Even though LD effects are the driving force for molecular aggregation …

Advances and recent trends in dipnictenes chemistry

L Weber, F Ebeler, RS Ghadwal - Coordination Chemistry Reviews, 2022 - Elsevier
Dipnictenes are molecules comprising a double bond between two Group 15 elements
(referred as pnictogens (Pn)= P, As, Sb, Bi). Over the last decades, the chemistry of …

Local energy decomposition of coupled‐cluster interaction energies: interpretation, benchmarks, and comparison with symmetry‐adapted perturbation theory

A Altun, R Izsák, G Bistoni - International Journal of Quantum …, 2021 - Wiley Online Library
Local energy decomposition analysis provides a breakdown of the domain‐based local pair
natural orbital CCSD (T)[DLPNO‐CCSD (T)] energy into additive contributions representing …