The millimeter and submillimeter rotational spectrum of 1,3-dihydroxyacetone

Widicus, Susanna L.; Braakman, Rogier; Kent, David R.; Blake, Geoffrey A.

doi:10.1016/j.jms.2004.01.002

Cited by 16 publications

(18 citation statements)

References 14 publications

(19 reference statements)

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“…DHA is a ketose sugar containing three carbon atoms-a significant increase in complexity relative to glycolaldehyde. In WB05, nine spectral features were observed that matched reasonably well to laboratory frequencies of DHA (Widicus et al 2004). These assignments, if correct, indicated a very large column density of 1.5 #10 16 cm Ϫ2 and a rotational temperature of ∼220 K for DHA, making this species an order of magnitude more abundant than formaldehyde (H 2 CO) in Sgr B2(N) and 250 times more abundant than glycolaldehyde (Halfen et al 2006).…”

Section: Introductionmentioning

confidence: 72%

See 1 more Smart Citation

Investigating the Limits of Chemical Complexity in Sagittarius B2(N): A Rigorous Attempt to Confirm 1,3-Dihydroxyacetone

Apponi¹,

Halfen²,

Ziurys³

et al. 2006

ApJ

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A search for confirming transitions of 1,3-dihydroxyacetone, (CH 2 OH) 2 CO (hereafter DHA), has been made toward Sgr B2(N) using the Arizona Radio Observatory Submillimeter Telescope (SMT) and 12 m telescope at millimeter wavelengths. In addition, data for this species have been obtained at the Green Bank Telescope. In all, 63 new transitions of DHA were sought; no plausible emission was detected at 97% of these frequencies.Typical peak-to-peak limits of 10-30 mK were achieved, indicating that DHA is not present in Sgr B2(N) at the level reported by Widicus Weaver & Blake in 2005, by at least a factor of 300. The upper limit to the DHA column density is N tot ! 5 #10 13 cm Ϫ2 , suggesting that this species, a three-carbon keto sugar, is less abundant than the two-carbon aldehyde sugar, glycolaldehyde (CH 2 OHCHO), by a factor of at least 4. If sugars of higher complexity are formed in interstellar clouds, their synthesis may proceed one carbon atom at a time, possibly through aldehyde intermediates.

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Section: Introductionmentioning

confidence: 72%

“…The GBT results rule out a significant cold gas component as seen for other large organic molecules (Hollis et al 2004). These searches were all based on accurate rest frequencies published in the literature (Lovas et al 2003;Widicus et al 2004). Evidence for the presence of DHA in Sgr B2(N) is therefore lacking.…”

Section: Introductionmentioning

confidence: 99%

Investigating the Limits of Chemical Complexity in Sagittarius B2(N): A Rigorous Attempt to Confirm 1,3-Dihydroxyacetone

Apponi¹,

Halfen²,

Ziurys³

et al. 2006

ApJ

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“…Widicus Weaver & Blake (2005) reported the detection of 9 transitions of dihydroxyacetone (DHA) in Sgr B2(N) at 1.3 mm that closely matched rest frequencies measured by the same group (Widicus et al 2004). From their observations, they derived a column density of 5 × 10 15 cm −2 and a rotational temperature of 220 K. Figure 6 shows a single sideband spectrum of DHA taken at the ARO SMT 10-meter telescope that reproduces Figure 1 shown in Widicus Weaver & Blake (2005).…”

Section: A Rigorous Attempt To Confirm Interstellar Dihydroxyacetonementioning

confidence: 55%

What Constitutes Spectroscopic Proof for the Detection of Large “Hot Core” Molecules?

Ziurys

Apponi

2006

IAU

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Abstract. The presence of large organic species in interstellar gas has important implications for the origin of life and pre-biotic chemistry. Accurate identifications of such molecules, however, are problematic in molecular clouds. There are many reasons for such difficulties. One is that the spectral density is very high in objects where the chemistry is sufficiently complex to produce such species-at least 10 lines per 100 MHz in Sgr B2(N), for example, at 3 mm, at a sensitivity of 10 mK peak-to-peak. Hence, the possibility of chance coincidences is large. Another reason is the presence of many large organic molecules at relatively high temperatures; these large asymmetric tops have vast numbers of favorable transitions under these conditions, including those originating from low-lying vibrational states. Confusion and blending of transitions of one large molecule with those of another add to the risks of an inaccurate identification.A case in point is that of glycolaldehyde, CH 2OHCHO. In order to confirm the identification of this molecule in Sgr B2(N), we searched for its most favorable transitions in the 2 and 3 mm windows, spanning the energy range of ∼10-100 K-a total of 43 individual transitions. Of all these lines, only seven were not heavily blended or contaminated by other molecules, i.e. so-called "clean" features. Emission, however, was visibly detected at 34 of the other transitions, but one transition was clearly absent. The "missing" line corresponds to a weak transition originating in the K a = 3 ladder, and its absence is consistent with the other detected features. Based on the clean features only, glycolaldehyde has a VLS R = 61.7±1.5 km s −1 and ∆V 1/ 2 = 7.8±1.8 km s −1with intensities consistently in the range T * R ∼ 20−70 mK. Given these data, the identification of glycolaldehyde is 99.9% secure. A rotational diagram from this data set yields a column density of Ntot ∼ 6 × 10 13 cm −2 for CH2OHCHO-roughly a factor of 27 less than that of H2CO. These data illustrate the problems and subtleties in identifying large organic molecules in space.

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“…Experimental and theoretical studies show that the most stable conformation of DHA is a bicyclic structure in which two hydrogen bonds are formed between OH groups and carbonyl oxygen [2][3][4]. In a study of DHA and Gald using DFT and MP2 methods [5], it has been shown that the stability of conformations depends on both the ring size and hybridization of the acceptor atom involved.…”

Section: Introductionmentioning

confidence: 99%

Study of hydrogen bonding in dihydroxyacetone and glyceraldehyde using computational methods

Jalili

Aghdastinat

2008

Journal of Molecular Structure: THEOCHEM

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The millimeter and submillimeter rotational spectrum of 1,3-dihydroxyacetone

Cited by 16 publications

References 14 publications

Investigating the Limits of Chemical Complexity in Sagittarius B2(N): A Rigorous Attempt to Confirm 1,3-Dihydroxyacetone

Investigating the Limits of Chemical Complexity in Sagittarius B2(N): A Rigorous Attempt to Confirm 1,3-Dihydroxyacetone

What Constitutes Spectroscopic Proof for the Detection of Large “Hot Core” Molecules?

Study of hydrogen bonding in dihydroxyacetone and glyceraldehyde using computational methods

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