Results 51 to 60 of about 3,012,302 (181)

Rotational spectroscopy of malononitrile and its corresponding monoisocyanide isomer, isocyanoacetonitrile

Astronomy & Astrophysics, 2019
Context. Nitriles constitute almost 20% of the molecules observed in the interstellar medium, whereas only one dinitrile and one isocyanonitrile compound have been detected up to now. The lack of detections of such compounds may be partially explained by
R. Motiyenko, I. Armieieva, L. Margulès, E. Alekseev, J. Guillemin   +4 more
semanticscholar   +1 more source

Spectral Signatures of Hydrogen Thioperoxide (HOSH) and Hydrogen Persulfide (HSSH): Possible Molecular Sulfur Sinks in the Dense ISM

Molecules, 2022
For decades, sulfur has remained underdetected in molecular form within the dense interstellar medium (ISM), and somewhere a molecular sulfur sink exists where it may be hiding. With the discovery of hydrogen peroxide (HOOH) in the ISM in 2011, a natural
Charles Z. Palmer, Ryan C. Fortenberry, Joseph S. Francisco   +2 more
doaj   +1 more source

Hydrogen Bonding in the Dimer and Monohydrate of 2-Adamantanol: A Test Case for Dispersion-Corrected Density Functional Methods

Molecules, 2022
Weakly-bound intermolecular clusters constitute reductionist physical models for non-covalent interactions. Here we report the observation of the monomer, the dimer and the monohydrate of 2-adamantanol, a secondary alcohol with a bulky ten-carbon ...
Marcos Juanes, Rizalina Tama Saragi, Cristóbal Pérez, Luca Evangelisti, Lourdes Enríquez, Martín Jaraíz, Alberto Lesarri   +6 more
doaj   +1 more source

Gas-phase Chemistry in the Interstellar Medium: The Role of Laboratory Astrochemistry

Frontiers in Astronomy and Space Sciences, 2022
“Who” and how? In this simple question the complexity of the interstellar chemistry is encapsulated. “Who” refers to what molecules are present in the interstellar medium (ISM) and “how” to the mechanisms that led to their formation.
Cristina Puzzarini
doaj   +1 more source

Anharmonic Vibrational Frequencies of Water Borane and Associated Molecules

Molecules, 2021
Water borane (BH3OH2) and borinic acid (BH2OH) have been proposed as intermediates along the pathway of hydrogen generation from simple reactants: water and borane.
Brent R. Westbrook, Ryan C. Fortenberry
doaj   +1 more source

Theoretical spectra and energetics for c-C3HC2H, l-C5H2, and bipyramidal D3h C5H2

Frontiers in Astronomy and Space Sciences, 2022
The recent astronomical detection of c-C3HC2H and l-C5H2 has led to increased interest in C5H2 isomers and their relative stability. The present work provides the first complete list of anharmonic vibrational spectral data with infrared intensities for ...
Alexandria G. Watrous, Brent R. Westbrook, Ryan C. Fortenberry   +2 more
doaj   +1 more source

Completing the Spectral Mosaic of Chloromethane by Adding the CHD₂Cl Missing Piece Through the Interplay of Rotational/Vibrational Spectroscopy and Quantum Chemical Calculations

Molecules
Chloromethane (CH3Cl) is a key chlorinated organic compound not only in atmospheric chemistry, but also in the field of molecular astrophysics and a possible biosignature in exoplanetary atmospheres.
Mattia Melosso, Paolo Stoppa, Daniela Alvarado-Jiménez, Filippo Tamassia, Carlotta Sapienza, Luca Bizzocchi, Luca Dore, Cristina Puzzarini, Andrea Pietropolli Charmet, Nicola Tasinato   +9 more
doaj   +1 more source

Rotational Spectroscopy of a Triatomic Molecular Anion.

Physical Review Letters, 2018
Rotational transitions of the nonlinear triatomic molecular anion NH_{2}^{-} have been observed by terahertz spectroscopy in a cryogenic radio frequency ion trap.
O. Lakhmanskaya, M. Simpson, Simon Murauer, Markus Nötzold, E. Endres, V. Kokoouline, R. Wester   +6 more
semanticscholar   +1 more source

Rotational Spectrum and Conformational Analysis of N-Methyl-2-Aminoethanol: Insights into the Shape of Adrenergic Neurotransmitters

Frontiers in Chemistry, 2018
We describe an experimental and quantum chemical study for the accurate determination of the conformational space of small molecular systems governed by intramolecular non-covalent interactions.
Camilla Calabrese, Assimo Maris, Luca Evangelisti, Anna Piras, Valentina Parravicini, Sonia Melandri   +5 more
doaj   +1 more source

Flexibility unleashed in acyclic monoterpenes: conformational space of citronellal revealed by broadband rotational spectroscopy.

Physical Chemistry, Chemical Physics - PCCP, 2016
Conformational flexibility is intrinsically related to the functionality of biomolecules. Elucidation of the potential energy surface is thus a necessary step towards understanding the mechanisms for molecular recognition such as docking of small organic
S. Domingos, C. Pérez, C. Medcraft, P. Pinacho, M. Schnell   +4 more
semanticscholar   +1 more source