# Jordy Bouwman's research while affiliated with University of Colorado Boulder and other places

## Publications (29)

Article
A detailed exploration of the potential energy surface of quinoline cation (C9H7N ·+) is carried out to extend the present understanding of its fragmentation mechanisms. DFT calculations have been performed to explore new fragmentation mechanisms giving special attention to previously unexplored pathways such as isomerisation and elimination of HNC...
Article
Dissociative photoionisation of quinoline induced by VUV radiation is investigated using photoelectron photoion coincidence (PEPICO) spectroscopy. Branching ratios of all the detectable fragment ions are measured as a function of internal energy ranging from 2 to 30 eV. A specific generation hierarchy is observed in the breakdown curves of a set of...
Article
Full-text available
The photon induced fragmentation behavior of the cations of three dibenzopyrene (C24H14) isomers (DPBae, DPBah and DPBal) is studied in a series of systematic mass spectrometric experiments. The ions are collected in an ion trap system and irradiated with different numbers of photons before being released into a time-of-flight mass spectrometer. Th...
Preprint
Full-text available
This work aims to constrain the abundances of interstellar amides, by searching for this group of prebiotic molecules in the intermediate-mass protostar Serpens SMM1-a. ALMA observations are conducted toward Serpens SMM1. A spectrum is extracted toward the SMM1-a position and analyzed with the CASSIS line analysis software for the presence of chara...
Article
Polycyclic aromatic hydrocarbons (PAHs) are found on various planetary surfaces in the solar system. They are proposed to play a role in the emergence of life, as molecules that are important for biological processes could be derived from them. In this work, four PAHs (pyrene, perylene, anthracene, and coronene) were measured using the ORganics Inf...
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Massive stars disrupt their natal molecular cloud material through radiative and mechanical feedback processes. These processes have profound effects on the evolution of interstellar matter in our Galaxy and throughout the Universe, from the era of vigorous star formation at redshifts of 1-3 to the present day. The dominant feedback processes can b...
Article
The acetylene ν1+ν5(Πu)←ν4(Πg) hot band has been reinvestigated at high resolution (≤10−3cm−1). Vibrationally excited but rotationally cold C2H2 (≈ 30 K) is probed in a supersonically expanding planar plasma by a cw mid-infrared cavity ring-down spectrometer at nearly Doppler free condition. Low J-value rovibrational transitions corresponding to th...
Article
In this work, we characterize – for the first time – in the gas phase infrared spectra of three isomeric Polycyclic Aromatic Hydrocarbon (PAH) cations of C24H14 composition that belong to distinctly different symmetry groups (C2h, Cs and C1). Mid-infrared (Mid-IR) spectra are recorded by means of infrared multiple photon dissociation (IRMPD) spectr...
Article
Phthalide pyrolysis has been assumed to be a clean fulvenallene source. We show that this is only true at low temperatures, and the C7H6 isomers 1-, 2-, and 5-ethynylcyclopentadiene are also formed at high pyrolysis temperatures. Photoion mass-selected threshold photoelectron spectra are analyzed with the help of (time-dependent) density functional...
Article
Aims. Methyl isocyanate (CH 3 NCO) and glycolonitrile (HOCH 2 CN) are isomers and prebiotic molecules that are involved in the formation of peptide structures and the nucleobase adenine, respectively. These two species are investigated to study the interstellar chemistry of cyanides (CN) and isocyanates (NCO) and to gain insight into the reservoir...
Article
Ortho-benzyne is a potentially important precursor for polycyclic aromatic hydrocarbon formation, but much is still unknown about its chemistry. In this work, we report on a combined experimental and theoretical study of the o-benzyne + acetylene reaction and employ double imaging threshold photoelectron photoion coincidence spectroscopy to investi...
Preprint
Full-text available
Methyl isocyanate (CH$_{3}$NCO) and glycolonitrile (HOCH$_{2}$CN) are isomers and prebiotic molecules that are involved in the formation of peptide structures and the nucleobase adenine, respectively. ALMA observations of the intermediate-mass Class 0 protostar Serpens SMM1-a and ALMA-PILS data of the low-mass Class 0 protostar IRAS~16293B are used...
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The vibrationally resolved spectra of the pyrene cation and doubly-dehydrogenated pyrene cation (C$_{16}$H$_{10}$$^{.+}; Py^+ and C_{16}H_{8}$$^{.+}$; ddPy$^+$) are presented. Infrared predissociation spectroscopy is employed to measure the vibrational spectrum of both species using a cryogenically cooled 22-pole ion trap. The spectrum of Py$... Article Full-text available The vibrationally resolved spectra of the pyrene cation and doubly-dehydrogenated pyrene cation (C16H10●+; Py⁺ and C16H8●+; ddPy⁺) are presented. Infrared predissociation spectroscopy is employed to measure the vibrational spectrum of both species using a cryogenically cooled 22-pole ion trap. The spectrum of Py⁺ allows a detailed comparison with h... Article Full-text available Polycyclic aromatic hydrocarbons (PAHs) play an important role in chemistry both in the terrestrial setting and in the interstellar medium. Various, albeit often ineffcient, chemical mechanisms have been proposed to explain PAH formation, but few yield polycyclic hydrocarbons cleanly. Alternative and quite promising pathways have been suggested to... Article The unimolecular dissociation of ionized tetralin was probed by tandem mass spectrometry, imaging photoelectron photoion coincidence (iPEPICO) spectroscopy and theory. The major reactions observed were the loss of the hydrocarbons CH3•, C2H4 and C3H5• together with H• atom loss. RRKM modeling of the iPEPICO data suggested a two well potential energ... Preprint Full-text available We are now on a clear trajectory for improvements in exoplanet observations that will revolutionize our ability to characterize their atmospheric structure, composition, and circulation, from gas giants to rocky planets. However, exoplanet atmospheric models capable of interpreting the upcoming observations are often limited by insufficiencies in t... Article Recent laboratory studies have shown that PAH cations dehydrogenate to give charged molecules consisting of only carbon atoms. Our experiments using ion-trap time-of-flight mass spectrometry show that a key group of photodissociation fragments from the coronene cation$({{\rm{C}}_{24}}{\rm{H}}_{12}^ + )$are carbon clusters of${\rm{C}}_n^ +\$ compo...
Article
Ubiquitous strong mid-infrared emission bands are observed towards many objects and are attributed to interstellar Polycyclic Aromatic Hydrocarbons (PAHs). PAHs are ionized, or even dissociate, when exposed to strong interstellar radiation fields. By means of ion trap mass spectrometry, light-induced dissociation patterns of PAH cations are measure...
Article
UV irradiation of ices plays an important role in different inter- and circumstellar environments. Following the absorption of UV photons in ice, two processes compete: photodesorption and photodissociation/chemistry. From an experimental point of view it is very hard to discriminate between photodesorption and photodissociation (and resulting phot...
Article
Article
A solid understanding of and a reliable model for the formation pathways of polycyclic aromatic (nitrogen containing) hydrocarbons (PA(N)Hs) is needed to account for their abundance in the interstellar medium and in Titan’s atmosphere and to mitigate the emission of these carcinogens in our terrestrial environment. We investigate the phenyl + acryl...
Article
Full-text available
A structural characterization of the products formed in the dissociative electron ionization of adamantane (C₁₀H₁₆) is presented. Molecular structures of product ions are suggested based on multiple‐photon dissociation spectroscopy using the Free Electron Laser for Infrared eXperiments (FELIX) in combination with quantum‐chemical calculations. Prod...

## Citations

... This behavior, although difficult to model, provides a way to disentangle both isomers. Recently, Hrodmarsson et al. 70 used an MPD activation scheme at 620 nm to disentangle three isomers of dibenzopyrene (DBP, C 24 H + 14 ). The authors measured the dissociation curves as a function of the number of pulses and reported similarities but also differences in the dissociation patterns between the species studied, con-cluding, however, that their interpretation was not straightforward. ...
... Because of the large range of physical scales that encompass the star formation process and the complex physical and chemical processes involved, ALMA users have conducted a vast array of observations including detailed observations of individual cores and protostars (e.g., Jensen et al. 2019;Ligterink et al. 2022;Ginsburg et al. 2019), comprehensive surveys of ensembles of sources (e.g., the Large Programs FAUST and IMF: Codella et al. 2021;Motte et al. 2022), and extensive mosaics of individual clouds and filaments in a variety of molecular species (e.g., Barnes et al. 2021;Lu et al. 2021;Yang et al. 2021). These observations have leveraged ALMA's unprecedented access to the full range of relevant Figure 17. ...
... Recently, our group developed a space prototype laser desorption ionization mass spectrometric system for the detection of biomolecules, called the ORganics Information Gathering INstrument (ORIGIN; Ligterink et al. 2020a). Previous studies using ORIGIN focused on the analysis of amino acids and polycyclic aromatic hydrocarbons (PAHs; Ligterink et al. 2020aLigterink et al. , 2022Kipfer et al. 2022;Schwander et al. 2022). Unique and simple mass fragmentation patterns were observed for the amino acids, allowing for robust identification and quantification, while limited fragmentation for PAHs was observed and parent ions were identified. ...
... Symmetry is a central concept in chemistry at atomic, molecular, and supramolecular levels. In the field of organic chemistry, the quest for highly symmetric compounds with the skeletons of regular polyhedra (tetrahedrons, cubes, and dodecahedrons), pseudo-spherical cages (fullerenes), propellers [66], tubes etc. has been the source of intense research [5,7,21]. For example, the tetrahedrane molecule, a hypothetical hydrocarbon with a tetrahedral structure has still not been synthesized as of 2021, whereas the synthesis of cubanes and dodecahedranes dates back to the '60s and '80s, respectively [28,72]. ...
... Complex 4, which has the carbon atom of the CO molecule interacting with the product ion, is 2 kJ mol −1 lower in energy than the complex in which the CO is flipped around. A is not the most stable C 7 H 6 +• isomer with dehydrogenated tropylium (a seven-membered ring) and the fulvenallene cation (the latter being the most stable five-membered ring isomer of C 7 H 6 +• ) 58 both being approximately 0.3-0.4 eV lower in energy. ...
... • HOCH 2 CN: this species was first detected in the ISM towards the hot corino IRAS 16293-2422 B , and more recently towards the SMM1 hot corino in Serpens (Ligterink et al., 2021). The abundance derived in G+0.693 is 4.3 × 10 −10 , very similar to that derived in the hot component of IRAS 16293-2422 B (Figure 8) and ion-neutral destruction reactions with H + 3 , HCO + , and H 3 O + , and concluded that more chemical pathways are needed to explain the abundance observed in the hot corino IRAS 16293-2422 B. ...
... Using IRPD in a cryogenic ion trap, Jusko et al. 23 recorded the mid-IR spectra of Ne-tagged C 7 H 7 + and revealed its two isomeric forms, i.e., benzylium + and tropylium + . Ne-tagged doubly dehydrogenated pyrene (ddPy + ) was spectroscopically investigated using the same technique by Panchagnula et al. 24 The results showed that its spectral features correspond to a mixture of different isomers (4,5-ddPy + and 1,2-ddPy + ) favoured by the loss of hydrogen from the same aromatic ring. Bouwman et al. 25 provided the first spectroscopic evidence, using IRMPD, for formation of the pentalene + isomer in the dissociative ionization of naphthalene via loss of C 2 H 2 . ...
... Closer to Earth, in the atmosphere of Titan, large hydrocarbon cations have been identified by mass spectrometry, indicating a complex organic chemistry 5,6 . Multiple formation pathways, especially fragmentation of larger molecules and synthesis from smaller building blocks such as acetylene, ethylene and benzene, have been proposed for both neutral and ionic species through a variety of potential mechanisms [7][8][9][10][11][12][13] . However, observed abundances of the detected aromatic molecules in the cold ISM are orders of magnitude higher than predictions from astrochemical models 4 . ...
... For small dihydro-PAHs the fragmentation was found to proceed via the loss of H and CH 3 . For a higher level of hydrogenation, new channels open involving the loss of larger hydrocarbons, C 2 H 4 and C 3 H 5 (Diedhiou et al. 2019(Diedhiou et al. , 2020. This has been rationalized by the latter authors by invoking isomerization processes through H migration and ring opening. ...
... More recently, this work has started to be extended to PAHs containing nitrogen in the ring (NPAHs). 35,36 Oxygen-containing PAHs (OPAHs) have been considered as well, although there is debate about the stability of the five-membered ring usually imposed by O substitution. 37 A review on extraterrestrial organic matter reported a wide variety of O-containing species, including CO and HCO. ...