Resonance-assisted intramolecular triel bonds

N Liu, Q Li, S Scheiner, X Xie - Physical Chemistry Chemical Physics, 2022 - pubs.rsc.org
The possibility that the intramolecular Tr⋯ S triel bond is strengthened by resonance is
examined by quantum chemical calculations within the planar five-membered ring of TrH2 …

Triel Bond Formed by Malondialdehyde and Its Influence on the Intramolecular H-Bond and Proton Transfer

Q Wu, S Yang, Q Li - Molecules, 2022 - mdpi.com
Malondialdehyde (MDA) engages in a triel bond (TrB) with TrX3 (Tr= B and Al; X= H, F, Cl,
and Br) in three modes, in which the hydroxyl O, carbonyl O, and central carbon atoms of …

Intramolecular hydrogen tunneling in 2-chloromalonaldehyde trapped in solid para-hydrogen

A Gutiérrez-Quintanilla, M Chevalier… - Physical Chemistry …, 2020 - pubs.rsc.org
The internal dynamics of a 2-chloromalonaldehyde (2-ClMA) molecule, possessing a strong
internal hydrogen bond (IHB), was examined by means of matrix isolation spectroscopy in a …

Large amplitude motions within molecules trapped in solid parahydrogen

A Gutiérrez-Quintanilla, M Chevalier, J Ceponkus… - Faraday …, 2018 - pubs.rsc.org
Molecules of the β-diketone and β-dialdehyde families were trapped in solid parahydrogen
(pH2) to investigate the vibrational behavior of systems containing an intramolecular …

Matrix isolation spectroscopy and nuclear spin conversion of propyne suspended in solid parahydrogen

AI Strom, A Gutiérrez-Quintanilla… - The Journal of …, 2020 - ACS Publications
Parahydrogen (p H2) quantum solids are excellent matrix isolation hosts for studying the
rovibrational dynamics and nuclear spin conversion (NSC) kinetics of molecules containing …

Selective photoisomerisation of 2-chloromalonaldehyde

A Gutiérrez-Quintanilla, M Chevalier… - The Journal of …, 2019 - pubs.aip.org
Isomerization of 2-chloromalonaldehyde (2-ClMA) is explored giving access to new
experimental data on this derivative of malonaldehyde, not yet studied much. Experiments …

Effects of trapping site on the spectroscopy of 1P1 excited group 12 metal atoms in rare gas matrices

M Lara-Moreno, J Alvarez-Hernández… - Low Temperature …, 2019 - pubs.aip.org
A molecular dynamics deposition model has been used to simulate the growth of rare gas
matrices doped with atoms of the group 12 elements zinc, cadmium and mercury. This study …

Theoretical study of “trapping sites” in cryogenic rare gas solids doped with β-dicarbonyl molecules

G Rojas-Lorenzo, M Lara-Moreno… - Low Temperature …, 2019 - pubs.aip.org
A deposition model to simulate the growth of doped rare gas crystals is used. The study
involves organic molecules with a single intramolecular hydrogen bond such as …

Influence of environment and association with water, to internal structure of trifluoroacetylacetone. Matrix isolation FTIR study

R Platakyte, A Gutiérrez-Quintanilla… - Low Temperature …, 2019 - pubs.aip.org
The structure of trifluoroacetylacetone in argon and nitrogen matrices and association with
water molecules were studied by the means of Fourier transform infrared absorption …

[HTML][HTML] Spectroscopy of methylcyanodiacetylene revisited. Solid parahydrogen and solid neon matrix studies

U Szczepaniak, A Gutiérrez-Quintanilla… - Journal of Molecular …, 2020 - Elsevier
Electronic phosphorescence and infrared absorption spectra of methylcyanodiacetylene
(CH 3 C 5 N) are revisited using matrix isolation in solid parahydrogen and neon. Band …