Rational design of an argon-binding superelectrophilic anion
M Mayer, V Van Lessen… - Proceedings of the …, 2019 - National Acad Sciences
Chemically binding to argon (Ar) at room temperature has remained the privilege of the most
reactive electrophiles, all of which are cationic (or even dicationic) in nature. Herein, we …
reactive electrophiles, all of which are cationic (or even dicationic) in nature. Herein, we …
Regularities and anomalies in neon matrix shifts of hydrogen-bonded O–H stretching fundamentals
O–H bond stretching vibrations in hydrogen-bonded complexes embedded into cryogenic
neon matrices are subtly downshifted from cold gas phase reference wavenumbers. To the …
neon matrices are subtly downshifted from cold gas phase reference wavenumbers. To the …
Molecular and crystal structures of noble gas compounds
SS Nabiev, VB Sokolov… - Russian Chemical …, 2014 - iopscience.iop.org
Data on the structures of xenon and krypton compounds in various physical states are
analyzed and generalized. The structures of simple, coordination, polymeric and clathrate …
analyzed and generalized. The structures of simple, coordination, polymeric and clathrate …
Matrix-isolation and ab initio study of HKrCCCl and HXeCCCl
C Zhu, M Räsänen, L Khriachtchev - The Journal of Chemical Physics, 2015 - pubs.aip.org
We report on two new noble-gas molecules, HKrCCCl and HXeCCCl, prepared in low-
temperature Kr and Xe matrices. These molecules are made by UV photolysis of HCCCl in …
temperature Kr and Xe matrices. These molecules are made by UV photolysis of HCCCl in …
New perspectives in the noble gas chemistry opened by electrophilic anions
Binding of noble gases (NGs) is commonly considered to be the realm of highly reactive
electophiles with cationic or at least non-charged character. Herein, we summarize our latest …
electophiles with cationic or at least non-charged character. Herein, we summarize our latest …
High Kinetic Stability of HXeBr upon Interaction with Carbon Dioxide: HXeBr···CO2 Complex in a Xenon Matrix and HXeBr in a Carbon Dioxide Matrix
We investigate the conditions when noble-gas hydrides can be found in real environments
and report on the preparation and identification of the HXeBr··· CO2 complex in a xenon …
and report on the preparation and identification of the HXeBr··· CO2 complex in a xenon …
Matrix effect on vibrational frequencies: Experiments and simulations for HCl and HNgCl (Ng= Kr and Xe)
J Kalinowski, RB Gerber, M Räsänen… - The Journal of …, 2014 - pubs.aip.org
We study the environmental effect on molecules embedded in noble-gas (Ng) matrices. The
experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H− Xe …
experimental data on HXeCl and HKrCl in Ng matrices is enriched. As a result, the H− Xe …
Modeling of HXeBr in CO2 and Xe environments: Structure, energetics and vibrational spectra
A Cohen, M Tsuge, L Khriachtchev, M Räsänen… - Chemical Physics …, 2014 - Elsevier
HXeBr in CO 2 and Xe environments is modeled at the B3LYP-D level of theory, using a full
single shell of CO 2 molecules and Xe atoms around the HXeBr molecule. For the CO 2 …
single shell of CO 2 molecules and Xe atoms around the HXeBr molecule. For the CO 2 …
Intrinsic lifetimes and kinetic stability in media of noble-gas hydrides
Noble-gas hydrides, generally prepared in noble-gas matrices, have fascinating chemical
bonding and properties. However, very little is known on the kinetic stability of these …
bonding and properties. However, very little is known on the kinetic stability of these …
Mathematical analysis of temperature accelerated dynamics
D Aristoff, T Lelievre - Multiscale Modeling & Simulation, 2014 - SIAM
We give a mathematical framework for temperature accelerated dynamics (TAD), an
algorithm proposed by Sø rensen and Voter in [J. Chem. Phys., 112 (2000), pp. 9599--9606] …
algorithm proposed by Sø rensen and Voter in [J. Chem. Phys., 112 (2000), pp. 9599--9606] …