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Descendant of the X-ogen carrier and a ‘mass of 69’: infrared action spectroscopic detection of HC3O+ and HC3S+
ABSTRACT The carbon chain ions HC O and HC S – longer variants of the famous ‘X-ogen’ line carrier HCO – have been observed for the first time using two cryogenic 22-pole ion trap apparatus (FELion,Expand
Two roaming pathways in the photolysis of CH3CHO between 328 and 308 nm
The correlated speed and rotational energy distributions of the CO fragment from photodissociation of CH3CHO have been measured at a range of wavelengths from 308 to 328 nm. The distributions areExpand
Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy.
TLDR
A key aspect of the present analysis was implementation of a rapid and efficient workflow to assign spectral features from known molecules and to identify line progressions by pattern recognition techniques. Expand
Molecular Identification with Rotational Spectroscopy and Probabilistic Deep Learning.
TLDR
A proof-of-concept framework for identifying molecules of unknown elemental composition and structure using experimental rotational data and probabilistic deep learning is presented, and four neural network architectures that yield information to assist in the identification of an unknown molecule are described. Expand
Bayesian Analysis of Theoretical Rotational Constants From Low-Cost Electronic Structure Methods.
TLDR
It is demonstrated that the uncertainties can be used in simulations of rotational spectra to cross-correlate with broadband spectra; a methodology that could be used to efficiently survey experimental spectra for new molecules. Expand
Triple-resonance spectroscopy reveals the excitation spectrum of very cold, isomer-specific protonated naphthalene
The excitation spectrum of very cold, isomerically pure protonated naphthalene is obtained by resonant dissociation spectroscopy. The cations are prepared by a pair of laser pulses which ionizeExpand
Vibrational satellites of C2S, C3S, and C4S: microwave spectral taxonomy as a stepping stone to the millimeter-wave band.
TLDR
The present study illustrates the utility of microwave spectral taxonomy as a tool for complex mixture analysis, and as a powerful and convenient 'stepping stone' to higher frequency measurements in the millimeter and submillimeter bands. Expand
Zero-point energy conservation in classical trajectory simulations: Application to H2CO.
TLDR
It is found ZPE has little effect on product rotational distributions, validating previous QCT simulations and being a proof-of-concept ZPE-corrected PES for H2CO, V eff, at no additional computational cost to the PES itself. Expand
Interstellar detection of the highly polar five-membered ring cyanocyclopentadiene
Much like six-membered rings, five-membered rings are ubiquitous in organic chemistry, frequently serving as the building blocks for larger molecules, including many of biochemical importance. From aExpand
Dynamics and quantum yields of H2 + CH2CO as a primary photolysis channel in CH3CHO.
TLDR
The first experimental observation of the primary photochemical channel of acetaldehyde leading to the formation of ketene (CH2CO) and hydrogen (H2) molecular products is reported and has implications for the atmospheric photochemistry of carbonyls and this reaction represents a new tropospheric source of H2. Expand
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