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Possible Gas-Phase Syntheses for Seven Neutral Molecules Studied Recently with the Green Bank Telescope

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Possible Gas-Phase Syntheses for Seven Neutral Molecules Studied Recently with the Green Bank Telescope A&A 474, 521–527 (2007) Astronomy DOI: 10.1051/0004-6361:20078246 & c ESO 2007 Astrophysics Possible gas-phase syntheses for seven neutral molecules studied recently with the Green Bank Telescope D. Quan1 and E. Herbst2 1 Chemical Physics Program, The Ohio State University, Columbus, Ohio 43210, USA e-mail: [email protected] 2 Departments of Physics, Chemistry and Astronomy, The Ohio State University, Columbus, OH 43210, USA Received 9 July 2007 / Accepted 17 August 2007 ABSTRACT Aims. With the Green Bank telescope (GBT), seven neutral molecules have been newly detected or confirmed towards either the cold interstellar core TMC-1 or the hot core source Sgr B2(N) within the last 1–2 years. Towards TMC-1, the new molecules seen are cyanoallene (CH2CCHCN) and methyl triacetylene (CH3C6H) while methyl cyanoacetylene (CH3CCCN) and methyl cyanodiacety- lene (CH3C5N) were confirmed. Towards Sgr B2(N), the three newly detected molecules are cyclopropenone (c-C3H2O), ketenimine (CH2CNH), and acetamide (CH3CONH2); these are mainly seen in absorption and are primarily located in an envelope around the hot core. In this work, we report a detailed study of the gas-phase chemistry of all seven molecules. Methods. Starting with our updated gas-phase chemical reaction network osu.01.2007, we added formation and depletion reactions to treat the chemistry of each of the seven molecules. Some of these were already in our network but with incomplete chemistry, while most were not in the network at all prior to this work. We assumed the standard physical conditions for TMC-1 and assumed that these also hold for the envelope around Sgr B2(N). Standard pseudo-time-dependent calculations were run for each source. Results. For TMC-1, we reproduced the observed fractional abundances of three detected molecules at early times of 105−6 yr and came close to reproducing a fourth. For the halo surrounding Sgr B2(N), our results are more ambiguous: only for ketenimine were we able to match the observed abundance very well. Key words. ISM: abundances – ISM: molecules – molecular processes + 1. Introduction the radiative association of CH3 and cyanoacetylene (HCCCN) and the subsequent formation of CH3CCCN by dissociative In 2006, detections of seven interstellar molecules with the 100- recombination with electrons. On the other hand, Balucani et al. m Green Bank Telescope (GBT) were reported. Towards the cold (2002) showed that the neutral-radical reactions between C3H4 core TMC-1, two new molecules – cyanoallene (CH CCHCN) 2 in its isomeric forms allene (H2CCCH2) and methyl acetylene and methyl triacetylene (CH C H) – were detected and two 3 6 (CH3CCH) and the CN radical react to produce all three isomers species – methyl cyanoacetylene (CH CCCN) and methyl cyan- 3 of C4H3N: methyl cyanoacetylene, cyanoallene, and 3-cyano odiacetylene (CH C N) – confirmed. Towards the hot-core 3 5 methylacetylene (HCCCH2CN). Although ion-molecule routes source Sgr B2(N) or, more accurately, its environs, three new to methyl cyanoacetylene are in the two current major net- molecules were seen: cyclopropenone (c-C3H2O), ketenimine works, RATE06 and osu.01.2007 (http://www.udfa.net/; (CH2CNH), and acetamide (CH3CONH2). These molecules sup- http://www.physics.ohio-state.edu/~eric/research.html), plement the earlier detection by Hollis et al. (2004) of propenal the neutral-radical synthesis appears to have been omit- and propanal towards Sgr B2(N). ted. The next member of the methyl cyanopolyyne family The new molecules detected in TMC-1 are analogous to (CH3(CC)nCN), methyl cyanodiacetylene (CH3C5N), was re- those previously seen in this exceptional source for unsaturated cently confirmed to be present in TMC-1 with a column density organic molecules. Lovas et al. (2006a) identified cyanoal- of 7.4 × 1011 cm−2 (Remijan et al. 2006; Snyder et al. 2006); lene (CH2CCHCN), an isomer of methyl cyanoacetylene the original detection had been made much earlier (Snyder (CH3CCCN), and also confirmed the existence of the latter. et al. 1984). This species is present in the two main chemical Cyanoallene was found to be the more abundant species, with networks; its synthesis is once again limited to ion-molecule − a column density of 2 ×1012 cm 2 compared with that of processes. The methyl polyynes (CH C H) are another family − 3 2n 4.5 × 1011 cm 2 for methyl cyanoacetylene. A similar observa- in TMC-1, and the largest member of this group – methyl tri- ff tion was reported with the use of the 100-m E elsberg telescope acetylene (CH3C6H) – has also been detected recently (Remijan (Chin et al. 2006). The formation mechanism of methyl et al. 2006) with a column density of 3.1 × 1012 cm−2 although cyanoacetylene has been discussed by a variety of authors. some evidence for this species had been obtained much earlier Schwahn et al. (1986) suggested an ion-molecule synthesis start- by Snyder et al. (1984). This species is also in the two networks, ing with the formation of protonated methyl cyanoacetylene via where it is produced solely by ion-molecule chemistry. In fact, the computed abundance with an older network of ours, Table 2 is only available in electronic form at osu.2003, is much too low (Snyder et al. 2006). http://www.aanda.org Article published by EDP Sciences and available at http://www.aanda.org or http://dx.doi.org/10.1051/0004-6361:20078246 522 D. Quan and E. Herbst: Possible gas-phase syntheses for seven GBT molecules The galactic center source Sgr B2(N) is the site for many Table 1. Initial abundances. discoveries of interstellar molecules, but the three new species reported are of interest in that much of their spectral transi- Species Sgr B2(N) TMC-1 tions are in absorption towards the source and two probably de- He 6.00 × 10−2 6.00 × 10−2 rive from a cold halo of material surrounding the hot core or N2.14 × 10−5 2.14 × 10−5 hot cores (Hollis, private communication), as is the case with O1.76 × 10−4 6.10 × 10−5 . × −1 . × −1 propenal (CH2CHCHO) and propanal (CH3CH2CHO) (Hollis H2 5 00 10 5 00 10 et al. 2004). Ketenimine appears to be somewhat of an excep- C+ 7.30 × 10−5 7.30 × 10−5 + − − tion, since it is found closer to the hot core with a rotational S 8.00 × 10 8 8.00 × 10 8 + −9 −9 temperature of ≈65 K. It is unclear what type of model of inter- Si 8.00 × 10 8.00 × 10 + . × −9 . × −9 stellar chemistry should be applied to these detections, since the Fe 3 00 10 3 00 10 + . × −9 . × −9 material can be thought of as either ambient or affected in some Na 2 00 10 2 00 10 Mg+ 7.00 × 10−9 7.00 × 10−9 way by the hot core/massive star formation region. The chem- + − − P 3.00 × 10 9 3.00 × 10 9 istry of none of the three species recently detected towards Sgr Cl+ 4.00 × 10−9 4.00 × 10−9 B2(N) is in the current major reaction networks. F+ 6.69 × 10−9 6.69 × 10−9 Ketenimine (CH2CNH) was detected towards Sgr B2(N) e− 7.31 × 10−5 7.31 × 10−5 with a column density of 1.5×1016 cm−2 by Lovas et al. (2006b), corresponding to a fractional abundance of (0.1–3.0)×10−9 with respect to H2. They suggested that this molecule is likely formed For the warmer region where ketenimine is detected we raised by isomerization of methyl cyanide (CH3CN) with energy sup- the temperature to 50 K. For Sgr B2(N), we used the stan- plied by shocks. Cyclopropenone (c-C3H2O) was detected to- dard low-metal elemental abundances (Graedel et. al 1982) wards this source by Hollis et al. (2006a) with a column density while for TMC-1 we used carbon-rich elemental abundances of ≈1 × 1013 cm−2, corresponding to a fractional abundance with (Wakelam et al. 2006). The initial abundances for both cases are −11 respect to H2 of ≈6 × 10 . Hollis et al. (2006a) maintained that listed in Table 1 with respect to the total hydrogen nuclei nH. since c-C3H2 is also present, it is possible that cyclopropenone Reactions added to our network to treat the chemistry of the GBT can be formed from the simpler ring species by some type of molecules are listed in Table 2 (online only) along with their oxygen addition. Finally, Hollis et al. (2006b) found another adopted rate coefficients k and references. This table also con- molecule, acetamide (CH3CONH2), towards the environs of Sgr tains current reactions in the network pertaining to these species. B2(N) with a column density of 1.8 × 1014 cm−2.Theywrote For bimolecular reactions, the rate coefficients are parameterized β that the exothermic reaction of formamide (HCONH2) with the by the expression k = α × (T/300) × exp [−γ/T], whereas for methylene radical (CH2) could account for the synthesis of inter- cosmic-ray induced photodissociation, k = α × ζ. stellar acetamide in the presence of shock phenomena, although radiative association reactions normally are fastest under low- energy conditions. 2.1. Molecules detected in TMC-1 In this paper, we report a detailed look at the chemistry To compute abundances for methyl cyanoacetylene and cyanoal- of these seven species undertaken to determine if they can be lene, we included their formation by neutral-radical reactions in- produced by gas-phase processes under ambient and quiescent volving the radical CN and the hydrocarbons methyl acetylene cold cloud conditions. Although such conditions likely per- (CH3CCH) and allene (CH2CCH2).
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