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 …

Complex organic molecules in the interstellar medium: IRAM 30 m line survey of Sagittarius B2 (N) and (M)

A Belloche, HSP Müller, KM Menten, P Schilke… - Astronomy & …, 2013 - aanda.org
Context. The discovery of amino acids in meteorites fallen to Earth and the detection of
glycine, the simplest of them, in samples returned from a comet to Earth strongly suggest that …

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 …

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 …

[HTML][HTML] Precise equilibrium structure determination of thiophene (c-C4H4S) by rotational spectroscopy—Structure of a five-membered heterocycle containing a third …

VL Orr, Y Ichikawa, AR Patel, SM Kougias… - The Journal of …, 2021 - pubs.aip.org
The rotational spectrum of thiophene (cC 4 H 4 S) has been collected between 8 and 360
GHz. Samples of varying deuterium-enrichment were synthesized to yield all possible …

Wetting camphor: Multi-isotopic substitution identifies the complementary roles of hydrogen bonding and dispersive forces

C Perez, A Krin, AL Steber, JC Lopez… - The Journal of …, 2016 - ACS Publications
Using broadband rotational spectroscopy, we report here on the delicate interplay between
hydrogen bonds and dispersive forces when an unprecedentedly large organic molecule …

Improved semi-experimental equilibrium structure and high-level theoretical structures of ketene

HH Smith, BJ Esselman, SA Wood… - The Journal of …, 2023 - pubs.aip.org
The millimeter-wave rotational spectrum of ketene (H 2 C= C= O) has been collected and
analyzed from 130 to 750 GHz, providing highly precise spectroscopic constants from a …

Precise equilibrium structure of thiazole (c-C3H3NS) from twenty-four isotopologues

BJ Esselman, MA Zdanovskaia, AN Owen… - The Journal of …, 2021 - pubs.aip.org
The pure rotational spectrum of thiazole (cC 3 H 3 NS, C s) has been studied in the
millimeter-wave region from 130 to 375 GHz. Nearly 4800 newly measured rotational …