Cooperativity in noncovalent interactions
AS Mahadevi, GN Sastry - Chemical reviews, 2016 - ACS Publications
After conquering the atomic structure about a century ago, chemists have been largely
interested in understanding the concept of chemical bond and the formation of a molecule …
interested in understanding the concept of chemical bond and the formation of a molecule …
The hydrogen bond and beyond: Perspectives for rotational investigations of non‐covalent interactions
M Juanes, RT Saragi, W Caminati… - Chemistry–A European …, 2019 - Wiley Online Library
In the last decade, experiment and theory have expanded our vision of non‐covalent
interactions (NCIs), shifting the focus from the conventional hydrogen bond to new bridging …
interactions (NCIs), shifting the focus from the conventional hydrogen bond to new bridging …
Substitution reactions in the pyrolysis of acetone revealed through a modeling, experiment, theory paradigm
DP Zaleski, R Sivaramakrishnan… - Journal of the …, 2021 - ACS Publications
The development of high-fidelity mechanisms for chemically reactive systems is a
challenging process that requires the compilation of rate descriptions for a large and …
challenging process that requires the compilation of rate descriptions for a large and …
AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal
Broadband chirped-pulse Fourier transform microwave (CP-FTMW) spectrometers have
increased the sensitivity for molecular rotational spectroscopy. The measurement dynamic …
increased the sensitivity for molecular rotational spectroscopy. The measurement dynamic …
Intramolecular london dispersion interaction effects on gas-phase and solid-state structures of diamondoid dimers
The covalent diamantyl (C28H38) and oxadiamantyl (C26H34O2) dimers are stabilized by
London dispersion attractions between the dimer moieties. Their solid-state and gas-phase …
London dispersion attractions between the dimer moieties. Their solid-state and gas-phase …
Switching hydrogen bonding to π-stacking: The thiophenol dimer and trimer
We used jet-cooled broadband rotational spectroscopy to explore the balance between π-
stacking and hydrogen-bonding interactions in the self-aggregation of thiophenol. Two …
stacking and hydrogen-bonding interactions in the self-aggregation of thiophenol. Two …
π-stacking isomerism in polycyclic aromatic hydrocarbons: The 2-naphthalenethiol dimer
RT Saragi, C Calabrese, M Juanes… - The journal of …, 2022 - ACS Publications
π-Stacking is a common descriptor for face-to-face attractive forces between aromatic
hydrocarbons. However, the physical origin of this interaction remains debatable. Here we …
hydrocarbons. However, the physical origin of this interaction remains debatable. Here we …
Controlling molecular growth between fractals and crystals on surfaces
Recent studies demonstrate that simple functional molecules, which usually form two-
dimensional (2D) crystal structures when adsorbed on solid substrates, are also able to self …
dimensional (2D) crystal structures when adsorbed on solid substrates, are also able to self …
A Direct Link from the Gas to the Condensed Phase: A Rotational Spectroscopic Study of 2, 2, 2‐Trifluoroethanol Trimers
J Thomas, NA Seifert, W Jäger, Y Xu - Angewandte Chemie, 2017 - Wiley Online Library
Rotational spectra of the three most stable conformers (I, II, III) of the ternary 2, 2, 2‐
trifluoroethanol (TFE) cluster were measured using Fourier transform microwave …
trifluoroethanol (TFE) cluster were measured using Fourier transform microwave …
Quantitative chiral analysis by molecular rotational spectroscopy
Recent advances in the application of molecular rotational spectroscopy to chiral analysis
are described. These include the use of broadband rotational spectroscopy for the analysis …
are described. These include the use of broadband rotational spectroscopy for the analysis …