High-resolution spectroscopic studies of complexes formed by medium-size organic molecules

M Becucci, S Melandri - Chemical Reviews, 2016 - ACS Publications
A wealth of structural and dynamical information has been obtained in the last 30 years from
the study of high-resolution spectra of molecular clusters generated in a cold supersonic …

Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism

JO Richardson, C Pérez, S Lobsiger, AA Reid… - Science, 2016 - science.org
The nature of the intermolecular forces between water molecules is the same in small
hydrogen-bonded clusters as in the bulk. The rotational spectra of the clusters therefore give …

Structures of cage, prism, and book isomers of water hexamer from broadband rotational spectroscopy

C Pérez, MT Muckle, DP Zaleski, NA Seifert, B Temelso… - Science, 2012 - science.org
Theory predicts the water hexamer to be the smallest water cluster with a three-dimensional
hydrogen-bonding network as its minimum energy structure. There are several possible low …

Evolution of Solute–Water Interactions in the Benzaldehyde-(H2O)1–6 Clusters by Rotational Spectroscopy

W Li, C Pérez, AL Steber, M Schnell, D Lv… - Journal of the …, 2023 - ACS Publications
The investigation on the preferred arrangement and intermolecular interactions of gas phase
solute–water clusters gives insights into the intermolecular potentials that govern the …

Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer

C Pérez, S Lobsiger, NA Seifert, DP Zaleski… - Chemical Physics …, 2013 - Elsevier
Over the recent years chirped-pulse, Fourier-transform microwave (CP-FTMW)
spectrometers have changed the scope of rotational spectroscopy. The broad frequency and …

Analysis of isomeric mixtures by molecular rotational resonance spectroscopy

JL Neill, L Evangelisti, BH Pate - Analytical Science Advances, 2023 - Wiley Online Library
Recent developments in molecular rotational resonance (MRR) spectroscopy that have
enabled its use as an analytical technique for the precise determination of molecular …

Precise equilibrium structure of benzene

BJ Esselman, MA Zdanovskaia, AN Owen… - Journal of the …, 2023 - ACS Publications
Recent advances in gas-phase structure determination afford outstanding agreement
between the CCSD (T)/cc-pCVTZ-corrected semi-experimental (re SE) equilibrium structures …

A rigorous detection of interstellar CH3NCO: An important missing species in astrochemical networks

J Cernicharo, Z Kisiel, B Tercero, L Kolesniková… - Astronomy & …, 2016 - aanda.org
The recent analysis of the composition of the frozen surface of comet 67P/Churyumov-
Gerasimenko has revealed a significant number of complex organic molecules. Methyl …

[HTML][HTML] Molecular structure determination: Equilibrium structure of pyrimidine (m-C4H4N2) from rotational spectroscopy (reSE) and high-level ab initio calculation (re) …

ZN Heim, BK Amberger, BJ Esselman… - The Journal of …, 2020 - pubs.aip.org
The pure rotational spectrum of pyrimidine (mC 4 H 4 N 2), the meta-substituted dinitrogen
analog of benzene, has been studied in the millimeter-wave region from 235 GHz to 360 …

Spectroscopic characterization and detection of ethyl mercaptan in orion

L Kolesniková, B Tercero, J Cernicharo… - The Astrophysical …, 2014 - iopscience.iop.org
New laboratory data of ethyl mercaptan, CH 3 CH 2 SH, in the millimeter-and submillimeter-
wave domains (up to 880 GHz) provided very precise values of the spectroscopic constants …