Understanding the Coordination Chemistry and Structural and Photophysical Properties of EuII- and SmII-Containing Complexes of Hexamethylhexacyclen and …

SS Bokouende, CL Ward, MJ Allen - Inorganic Chemistry, 2024 - ACS Publications
Ligands play a crucial role in supporting or stabilizing the divalent oxidation state of
lanthanide metals. To expand the range of ligands used to chelate divalent lanthanide ions …

Reduction of K+ or Li+ in the Heterobimetallic Electride K+[LiN(SiMe3)2]e

N Davison, PG Waddell, E Lu - Journal of the American Chemical …, 2023 - ACS Publications
Given their very negative redox potential (eg, Li+→ Li (0),− 3.04 V; K+→ K (0),− 2.93 V),
chemical reduction of Group-1 metal cations is one of the biggest challenges in inorganic …

Quantifying the effect of guest binding on host environment

HP Ryan, ZS Fishman, JT Pawlik… - Journal of the …, 2023 - ACS Publications
The environment around a host–guest complex is defined by intermolecular interactions
between the complex, solvent molecules, and counterions. These interactions govern both …

Molecular self-assembling structure and formation mechanism of lubricating grease: A computational simulation approach

R Si, Q Ren, Y He, J Long - Tribology International, 2023 - Elsevier
Grease is an important type of lubricant. In this study, a computational simulation strategy
suitable for revealing the self-assembled structure of grease and its formation mechanism is …

Mechanochemical Synthesis of a Sodium Anion Complex [Na+(2,2,2-cryptand)Na] and Studies of Its Reactivity: Two-Electron and One-Electron Reductions

N Davison, JM Hemingway, C Wills, T Stolar… - Inorganic …, 2024 - ACS Publications
Group 1 metal molecular chemistry is dominated by a+ 1 oxidation state, while a 0 oxidation
state is widespread in the metals. A more exotic, yet still available, oxidation state of group 1 …

Theoretical insights into single-pole quadruple-throw (SP4T) inorganic nonlinear optics molecular switch of Na (HCN) 3 Na: from superalkali to superalkalides

ZJ Wang, YF Wang, JM Zeng, W Zhang… - Journal of Materials …, 2022 - pubs.rsc.org
Seeking novel multi-response molecular switches have led to the ongoing development in
the field of molecular electronics. Focusing on single-pole quadruple-throw (SP4T) …

From an electride-like super alkali earth atom to a superalkalide or superalkali electride: M (HF) 3 M (M= Na or Li) as field-induced excellent inorganic NLO molecular …

YF Wang, JJ Wang, J Li, XX Liu, ZJ Wang… - Journal of Materials …, 2021 - pubs.rsc.org
Exploration of novel molecular switches is an ongoing hot issue in molecular electronics.
Alkalides and electrides are two typical representatives of excess electron compounds. It …

Ground and excited electronic structures of electride and alkalide units: The cases of Metal‐Tren,‐Azacryptand, and‐TriPip222 complexes

IR Ariyarathna - Journal of Computational Chemistry, 2024 - Wiley Online Library
A systematic electronic structure analysis was conducted for M (L) n molecular electrides
and their corresponding alkalide units M (L) n@ M′(M/M′= Na, K; L= Tren, Azacryptand …

On the possibility of using aza-cryptands to design superalkalis

WM Sun, X Cheng, YL Ye, XH Li, BL Ni - Organometallics, 2022 - ACS Publications
The possibility to design new superalkali species by encapsulating main-group s-block
metals (alkali metal and alkaline earth metal) into aza-cryptands has been examined under …

Can a molecular switch exist in both superalkali electride and superalkalide forms?

XG Yi, YF Wang, HR Zhang, JH Cai, XX Liu… - Physical Chemistry …, 2022 - pubs.rsc.org
To combine both electride and alkalide characteristics in one molecular switch, it is shown
herein that the phenalenyl radical and the M3 ring (M3–PHY, M= Li, Na, and K) stacked with …