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 …

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 …

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 …

AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal

NA Seifert, IA Finneran, C Perez, DP Zaleski… - Journal of Molecular …, 2015 - Elsevier
Broadband chirped-pulse Fourier transform microwave (CP-FTMW) spectrometers have
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

AA Fokin, TS Zhuk, S Blomeyer, C Perez… - Journal of the …, 2017 - ACS Publications
The covalent diamantyl (C28H38) and oxadiamantyl (C26H34O2) dimers are stabilized by
London dispersion attractions between the dimer moieties. Their solid-state and gas-phase …

Switching hydrogen bonding to π-stacking: The thiophenol dimer and trimer

RT Saragi, M Juanes, C Pérez, P Pinacho… - The journal of …, 2021 - ACS Publications
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 …

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 …

Controlling molecular growth between fractals and crystals on surfaces

X Zhang, N Li, GC Gu, H Wang, D Nieckarz… - ACS …, 2015 - ACS Publications
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 …

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 …

Quantitative chiral analysis by molecular rotational spectroscopy

BH Pate, L Evangelisti, W Caminati, Y Xu, J Thomas… - Chiral Analysis, 2018 - Elsevier
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 …