Synthesis and reactivity of low-oxidation-state alkaline earth metal complexes

LA Freeman, JE Walley, RJ Gilliard Jr - Nature Synthesis, 2022 - nature.com
The synthesis of molecules that feature main-group elements in unusual oxidation states
and coordination environments is a primary pursuit of main-group chemistry. The p-block …

Transition‐Metal Chemistry of Alkaline‐Earth Elements: The Trisbenzene Complexes M(Bz)3 (M=Sr, Ba)

Q Wang, S Pan, YB Wu, G Deng… - Angewandte Chemie …, 2019 - Wiley Online Library
We report the synthesis and spectroscopic identification of the trisbenzene complexes of
strontium and barium M (Bz) 3 (M= Sr, Ba) in low‐temperature Ne matrix. Both complexes …

The oxidation state in low-valent beryllium and magnesium compounds

M Gimferrer, S Danés, E Vos, CB Yildiz, I Corral… - Chemical …, 2022 - pubs.rsc.org
Low-valent group 2 (E= Be and Mg) stabilized compounds have been long synthetically
pursued. Here we discuss the electronic structure of a series of Lewis base-stabilized Be …

Clarifying notes on the bonding analysis adopted by the energy decomposition analysis

FM Bickelhaupt, CF Guerra, M Mitoraj… - Physical Chemistry …, 2022 - pubs.rsc.org
We discuss the fundamental aspects of the EDA-NOCV method and address some critical
comments that have been made recently. The EDA-NOCV method unlike most other …

The nature of the polar covalent bond

L Zhao, S Pan, G Frenking - The Journal of Chemical Physics, 2022 - pubs.aip.org
Quantum chemical calculations using density functional theory are reported for the diatomic
molecules LiF, BeO, and BN. The nature of the interatomic interactions is analyzed with the …

Comment on “Realization of Lewis Basic Sodium Anion in the NaBH3 Cluster”

S Pan, G Frenking - Angewandte Chemie, 2020 - Wiley Online Library
Comment on “Realization of Lewis Basic Sodium Anion in the NaBH3− Cluster” - Pan - 2020 -
Angewandte Chemie - Wiley Online Library Skip to Article Content Skip to Article Information …

Side‐On Bonded Beryllium Dinitrogen Complexes

G Deng, S Pan, G Wang, L Zhao… - Angewandte Chemie …, 2020 - Wiley Online Library
The preparation and spectroscopic identification of the complexes NNBe (η2‐N2) and (NN)
2Be (η2‐N2) and the energetically higher lying isomers Be (NN) 2 and Be (NN) 3 are …

Carbodicarbene bismaalkene cations: unravelling the complexities of carbene versus carbone in heavy pnictogen chemistry

JE Walley, LS Warring, G Wang, DA Dickie… - Angewandte …, 2021 - Wiley Online Library
We report a combined experimental and theoretical study on the first examples of
carbodicarbene (CDC)‐stabilized bismuth complexes, which feature low‐coordinate cationic …

The valence orbitals of the alkaline‐earth atoms

I Fernández, N Holzmann… - Chemistry–A European …, 2020 - Wiley Online Library
Quantum chemical calculations of the alkaline‐earth oxides, imides and dihydrides of the
alkaline‐earth atoms (Ae= Be, Mg, Ca, Sr, Ba) and the calcium cluster Ca6H9 [N (SiMe3) 2] …

Generation and Characterization of the Charge-Transferred Diradical Complex CaCO2 with an Open-Shell Singlet Ground State

Y Zhou, S Pan, X Dong, L Wang, M Zhou… - Journal of the …, 2022 - ACS Publications
The CaCO2 complex is generated via the reaction of excited-state calcium atom with carbon
dioxide in a solid neon matrix. Infrared absorption spectroscopy and quantum chemical …