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Abstract
Abstract Sulfur-bearing species are widely utilized to investigate the physical structure of star-forming regions in interstellar media; however, the underlying sulfur chemistry in these environments remains poorly understood. Therefore, further studies of S-bearing species are fundamentally important, as they can enhance our understanding of the physical evolution of star-forming regions. This study presents observations of C2S and C3S in L1544, acquired using the Nanshan 26-m radio telescope, along with simulations of their chemical behavior using a one-dimensional physical model. The simulation results reveal significant radial variations in the column densities of C2S and C3S. Additionally, the column densities of both molecules are found to be sensitive to the cosmic ray ionization rate at several radial positions, while variations in the C/O ratio have comparatively minimal impact on L1544. -
1. Introduction. The recent detection of sulfur-bearing carbon chains in TMC-1 and complex organosulfur molecules in the material of comet 67P/Churyumov-Gerasimenko has brought the chemistry of sulfur-bearing species to the forefront of modern astrochemistry. With a cosmic abundance relative to hydrogen (H) of 1.73 × 10−5,[1] sulfur (S) one of the most enigmatic elements in astrochemistry is a vital component of many proteins, alongside more abundant elements, such as hydrogen, carbon (C), oxygen (O), and nitrogen (N).[2] Despite extensive studies of sulfur chemistry in interstellar media (ISM), its complexity, especially in star-forming molecular clouds, remains unresolved. In diffuse ISM regions and photon-dominated regions (PDRs), observed sulfur abundances are close to cosmic values.[3,4] However, in dense molecular clouds, gas-phase sulfur abundance is observed to be only about 0.1% or 1% of the cosmic sulfur abundance,[5] indicating depletion factors as high as three orders of magnitude.[6,7] A major unresolved question is the primary reservoir of sulfur in the ISM. Theoretical models suggest that H2S could be the most significant sulfur reservoir;[8] however, only OCS and SO2 have been detected in ice mantles.[9,10]
Pre-stellar core L1544, located in the Taurus molecular cloud at a distance of 170 pc,[11] is characterized by high central densities of approximately 106–107 cm−3 and a central temperature of about 6 K.[12,13] This chemically rich core exhibits spatial inhomogeneities in molecular emission distributions.[14,15] Reference [7] examined the sulfur chemistry of L1544, predicting strong radial variations in the abundance of sulfur species. In this study, we present observations of C2S and C3S toward L1544 using the Nanshan 26-m radio telescope (NSRT-26 m) at the Xinjiang Astronomical Observatory, complemented by astrochemical modeling to explore sulfur chemistry under varying physical conditions, such as the carbon-to-oxygen (C/O) ratio and cosmic ray ionization rate.
To understand sulfur chemistry in the ISM, it is essential to validate models by observing sulfur-bearing molecules across diverse physical conditions. However, certain conditions, such as the C/O ratio, remain poorly constrained due to observational limitations. Volatile abundances of carbon and oxygen (in both gas and ice phases) often have uncertainties of about a factor of two,[16,17] leading to substantial discrepancies in astrochemical model predictions.[18] Simulations by Ref. [19] showed that the gas-phase abundance of sulfur-bearing species in Taurus Molecular Clouds (TMC-1) is highly sensitive to the C/O ratio. Additionally, cosmic rays (CRs) significantly influence the chemistry and physics of cold, dense star-forming regions.[20] In such environments, CRs act as primary ionizing agents, driving the complex chemistry of molecular ions. CRs also influence the ionization fraction, which regulates the coupling between the gas and interstellar magnetic fields, as well as the heating of the gas.[21] In this study, the cosmic ray ionization rate is denoted by ζCR. Reference[22] provides an upper limit of approximately ζCR ≈ 10−16 s−1 based on gas temperature measurements in L1544. Model results from Ref. [21] exclude high cosmic-ray ionization rates (>10−16 s−1) and estimate the average cosmic-ray ionization rate to be approximately ζCR ≈ 3 × 10−17 s−1 in the low-mass prestellar core L1544. These findings suggest that the cosmic-ray ionization rate in molecular clouds or prestellar cores may differ from the standard value of ζCR ≈ 1.3 × 10−17 s−1 typically used in astrochemical models.
2. Observations. Single-point observations of the prestellar core L1544 were conducted using the NSRT-26 m telescope at the Xinjiang Astronomical Observatory, Chinese Academy of Sciences (CAS), in April 2021. The J2000 coordinates of the observation are RA = 05h04m16.60s, Dec = 25°10′48.00″. The JN = 21–10 transition of C2S and the J = 4–3 transition of C3S were observed, with the spectral line parameters listed in Table 1. Parameters for C2S and C3S were obtained from the Cologne Database for Molecular Spectroscopy (CDMS*[23]). During the observations, the system temperature was maintained at ∼40 K. The receiver’s back end utilized a Digital Filter Bank with 8192 channels and 64 MHz bandwidth, providing a frequency resolution of 7.8125 kHz, a velocity resolution of 104.8 m⋅s−1 at 22.344 GHz and 101.3 m⋅s−1 at 23.122 GHz. The half-power beam widths (HPBW) were 109″ and 105″ for C2S and C3S respectively. The antenna temperature (
T*A ) is related to the main beam brightness temperature (Tmb) via the main beam efficiency (η), i.e.Tmb=T*A/η ; the value of η for NSRT is approximately 0.6. Observations were performed in position-switching mode, with an integration time of three minutes for each on-source and off-source scan. The total integration time for each molecule was 48 minutes, excluding telescope overhead for position switching. The calibration uncertainty (%) of the NSRT-26 m was 14%.[24] Data processing for C2S and C3S was performed using CLASS, a component of the GILDAS software suite†.Table 1. Spectral line parameters of C2S and C3S detected in L1544.Molecule Transition ν Sμ2 B Eu rms Tmb ∫Tmbdv VLSR FWHM (MHz) (Debye2) (MHz) (K) (mK) (K) (K⋅km⋅s−1) (km⋅s−1) (km⋅s−1) C2S JN = 21–10 22344.0308 16.43636 6477.75 1.60598 19.17 0.562 0.211 (0.030) 7.160 (0.005) 0.353 (0.010) C3S J = 4–3 23122.9836 54.88343 2890.38 2.77441 23.29 0.146 0.057 (0.010) 7.117 (0.023) 0.369 (0.050) Note. ∫Tmbdv is the integral intensity, VLSR is the local standard of rest radial velocity, and FWHM is the full-width at half-maximum, the values in parentheses are the corresponding derived errors. The parameters of the molecules are taken from the CDMS.[23] 3. Results. For the C2S and C3S lines, the Gaussian fitting routine in CLASS was used to derive line parameters, including the main beam brightness temperature (Tmb), integrated intensity (W = ∫Tmbdv), local standard of rest radial velocity (VLSR), and full width at half maximum (FWHM). These results are summarized in Table 1. The observed spectral lines for C2S and C3S are shown in Fig. 1. The error in ∫Tmbdv was calculated using
σw=√(cal×W)2+[rms×√2×FWHM×ΔV]2 , where cal represents the calibration uncertainty, ΔV is the velocity resolution, and rms is derived from regions free of obvious spectral lines.Fig. 1. The detected molecular emissions for C2S and C3S in L1544 are illustrated in Fig. 1. The black line represents the observed spectral line profile, and the red line corresponds to the Gaussian fit. The molecule names and rotational transitions are indicated in the upper right corners of the respective panels.Assuming local thermodynamic equilibrium (LTE) conditions and optical thinness of C2S and C3S, the column densities of these species were derived using the following equations:[25,26]
Ntot=3k8π3νQ(Tex)Sμ2eEu/kTexJν(Tex)Jν(Tex)−Jν(Tbg)∫Tmbdv, (1) where k, Sμ2, Eu, and ν represent the Boltzmann constant, the product of the total torsion-rotational line strength and the square of the electric dipole moment, the upper level energy, and the rest frequency of the line, respectively. Q(Tex) denotes the partition function, which was estimated as follows:
Q(Tex)=kTexhBe(hB/3kTex), (2) where Tex, h, and B are the excitation temperature, Planck’s constant, and rigid rotor rotation constant, respectively. Sμ2, B, and Eu are obtained from CDMS[23] and are listed in Table 1. Tbg (2.73 K) represents the cosmic background temperature. Jν(T) is the equivalent Rayleigh-Jeans temperature defined by
Jν(T)=(hνk)[e(hν/kT)−1]−1. (3) The calculated column densities for C2S and C3S are listed in Table 2. The error in the column density (σNtot) was calculated using σNtot = σWNtot/W. Reference [27] observed C2S (JN = 21–10) and C3S (J = 4–3) in L1544 with the Nobeyama-45 m telescope, deriving a column density of 1.8 × 1013 cm−2 for C2S and 4.2 × 1012 cm−2 for C3S, assuming excitation temperatures of 5 K and 5.5 K, respectively. Ref. [7] reported lower column densities for both C2S and C3S compared to Ref. [27], indicating discrepancies in the derived values. We determined a C2S column density of (4.3±0.6) × 1012 cm−2 at an excitation temperature of 4.9 K and a C3S column density of (8.7±1.6) × 1011 cm−2 at an excitation temperature of 7.9 K. Observations of the same molecular transitions using different telescopes can yield varying column densities, potentially due to the effect of the telescope’s beam dilution factor, which was not accounted for in either our analysis or that of Ref. [27]. Additionally, differences in the calculation methods may contribute to variations in the derived column densities. The previous results for these molecules’ column densities are summarized in Table 2. Except for the results from Ref. [27], our findings are generally consistent with other determinations.
Table 2. Column densities of C2S and C3S detected in L1544 in this work and from the literature.Molecule Tex N Note (K) (cm−2) C2S 4.9±0.2* (4.36±0.62) × 1012 This work 5 1.8 × 1013 Ref. [27] (0.96–4.4) × 1012 Ref. [28] 4.9±0.2 (7.5±1.3) × 1012 Ref. [7] 8.8±0.19 (4.9±0.39)× 1012 Ref. [29] C3S 7.9±0.2* (8.73±1.56)× 1011 This work 5.5 4.2× 1012 Ref. [27] 7.9±0.2 (8.8± 0.7)× 1011 Ref. [7] 9.6±0.11 (1.2±0.6)× 1012 Ref. [29] * The value of Tex is taken from Ref. [7]. 4. Models. The physical model of L1544 is based on a one-dimensional quasi-equilibrium Bonnor–Ebert sphere developed by Ref. [30], which reproduces the observed C18O, H2O, and N2H+ lines. The model provides radius-dependent values for H2 density, gas temperature (Tgas), dust temperature (Tdust), and visual extinction (AV), as shown in Fig. 2.
Fig. 2. The employed physical models in this work, extracted from the work of Keto and Caselli (2010). The number density of H2 [n(H2), top panel, black line], visual extinction (AV, top panel, red line), gas temperature (Tgas, bottom panel, blue line), and dust temperature (Tdust, bottom panel, green line) are plotted as a function of radius from the central core towards the edge of the cloud.In this study, we utilized the Nautilus three-phase model,[31] which accounts for the gas phase, the dust surface (top two layers of ice mantles), and the bulk of the ice mantles. The chemical network was derived from Ref. [32], which extended the sulfur chemical network to explain the observed abundances of sulfur-containing species in TMC-1. Reference[7] demonstrated that significant sulfur depletion is required to reproduce the observations of the prestellar core L1544, leading us to adopt an S/H ratio of 8.0 × 10−8. Recent studies of dark clouds[32,33] employed a C/O ratio of 0.7 or lower to explain the observed abundances of sulfur-bearing species. We modeled the chemical composition by varying the C/O ratio through adjustments in the C+ abundance, presenting models with C/O ratios of 0.5, 0.7, and 0.9. The initial conditions are listed in Table 3. For the cosmic ray ionization rate, we tested three scenarios: (1) the standard value commonly used in astrochemical models, ζCR ≈ 1.3 × 10−17 s−1; (2) an average cosmic ray ionization rate of ζCR ≈ 3 × 10−17 s−1 for L1544 derived by Ref. [21]; and (3) a high cosmic ray ionization rate of ζCR ≈ 1 × 10−16 s−1. We simulated the chemical evolution over 106 years and compared the results of our chemical modeling with observational data for C2S and C3S in L1544. Column densities were calculated using a method adapted from Ref. [7].
Figures 3 and 4 show the column density profiles of C2S and C3S calculated using different models. Four time steps (1.00 × 105, 2.78 × 105, 4.64 × 105, and 1.00 × 106 years) were selected within the range of 105–106 years, based on the models in Ref. [34] and Ref. [35] models, as these simulations extend beyond 105 years to align with observations. The observed column densities of C2S and C3S, presented in Fig. 3 and 4, fall within the range summarized in Table 2 (indicated by the gray shaded area), while the black dashed line represents the column density calculated in this study.
Fig. 3. The column density of C2S is presented as a function of radius from the central core to the cloud edge at four selected representative evolutionary time points. The results for various models are shown using different colors, with each color representing simulations based on distinct cosmic-ray ionization rate models. The solid line corresponds to C/O = 0.5, the dashed line represents C/O = 0.7, and the dotted line indicates C/O = 1.0. The black dashed line reflects the column density calculated in this study, the black shaded area represents the uncertainty, while the gray shaded area denotes the range of column densities summarized in Table 2.Fig. 4. Same as Fig. 3 but for the molecule of C3S.The modeling results demonstrate significant radial variation in the column densities of C2S and C3S. For both molecules, column densities peak at distances between 5 × 103 and 104 AU across different models at ages exceeding 1 × 105 years. In these models, the primary formation reaction routes for C2S are as follows:
HC2S++e−→H+C2S, (4) HC3S++e−→CH+C2S. (5) Near the 104 AU position, C2S can also be produced by the following reaction:
C+HCS→C2S+H. (6) HCS is formed via the reaction of C with H2S, which itself is produced on dust grains and subsequently released into the gas phase. The main destructive reactions of C2S occur at distances ranging from 103 to 105 AU.
C2S+C+→S+C+3, (7) C2S+C+→C+C2S+, (8) C2S+H+3→H2+HC2S+. (9) For C3S, the main formation reactions at all positions areas follows:
HC3S++e−→H+C3S, (10) C3S is mainly destroyed by C+ at positions ranging from 103 to 105 AU.
C3S+C+→S+C+4, (11) C3S+C+→CS+C+3, (12) C3S+C+→C3+CS+. (13) When comparing the simulation results (represented by the red, green, and blue lines) with the observations (indicated by the black dashed horizontal line), we find that at an age of 1 × 105 years, the column density of C2S matches the observational values at the 104 AU position for each model. In contrast, for C3S, the column density reaches observational values near 5 × 103 AU for some models at the same age of 1 × 105 years. By 2.78 × 105 years, the column densities of both C2S and C3S align with observational values at similar positions across different models. At a cloud age of 106 years, each model shows a peak column density for C2S and C3S at 104 AU. These modeling results suggest that C2S and C3S likely originate from regions approximately 2 × 103 to 104 AU from the central core, corresponding to the external layer of the pre-stellar core.
The column densities of C2S and C3S were found to be relatively insensitive to variations within the chosen range of C/O ratios. Notably, only at distances around 104 AU do the models with C/O ratios of 0.5 and 0.7 show significant differences, with the column densities calculated for the C/O = 0.7 model being higher than those for the C/O = 0.5 model. Additionally, models with C/O ratios of 0.7 and 1.0 yield nearly identical results for both C2S and C3S.
Furthermore, the cosmic ray ionization rate may influence the column densities of C2S and C3S, particularly at ages less than 4.64 × 105 years and a distance of 104 AU. A higher cosmic-ray ionization rate results in increased column densities of C2S and C3S. CRs are the primary ionizers of gases and influence the chemical properties by generating ions and electrones. The ionization of hydrogen molecules by CRs produces ions,
CR+H2→H+2+e−+CR, (14) both C2S and C3S molecules were produced through the reaction of ions with e− [Eqs. (4), (5), and (10)]. Therefore, a higher cosmic ray ionization rate leads to an increased column density of these molecules. Recent theoretical models have characterized the increase in CRs decay with increasing density.[21] Given that the column density of H2 in L1544 decreases radially (Fig. 2), this raises the question of whether CRs levels also vary radially. The column densities of C2S and C3S exhibit significant radial variation and are moderately sensitive to changes in the cosmic-ray ionization rate, making them valuable probes for studying CRs. However, the chemical network for sulfur-bearing species remains incomplete. To address this limitation, we plan to use higher spatial resolution observations in conjunction with astrochemical modeling to explore the chemistry of sulfur-containing molecules across diverse interstellar environments.
5. Conclusion. In this work, we present observations of C2S and C3S in L1544 using the NSRT-26 m telescope and perform one-dimensional astrochemical modeling of these species to investigate the effects of the C/O ratio and cosmic-ray ionization rate on their formation pathways. Assuming LTE conditions, the calculated column densities for C2S and C3S were (4.4±0.6) × 1012 and (8.7 ± 1.6) × 1011, respectively. A comparison of the modeled column densities with the observationally derived values indicates that C2S and C3S likely originate from the outer layers of the core. We analyzed the impact of the C/O ratio and cosmic-ray ionization rate on the column densities of these molecules. Our findings reveal that while the column densities of C2S and C3S are relatively insensitive to variations within the chosen range of C/O ratios in L1544, they exhibit sensitivity to changes in the cosmic-ray ionization rate at specific locations. Consequently, C2S and C3S, alongside other molecular species, could serve as effective probes for measuring cosmic-ray ionization rates.
The characterization of CRs remains an active area of research in astrophysics, with robust constraints on cosmic-ray ionization in astrophysical contexts still being scarce. In recent years, China’s Five-hundred-meter Aperture Spherical Radio Telescope (FAST) has achieved significant advancements in various fields of astronomy. L1544, a prototypical prestellar core transitioning from the starless to protostellar phase, has been studied using FAST. Reference [41] reported the detection of magnetic field in L1544 with FAST. According to Ref. [42], the cold HI gas traced by HI narrow line self-absorption (HINSA) within molecular clouds can only be explained by cosmic-ray dissociation. FAST provides a unique opportunity to probe HINSA.[43] Additionally, the FAST Core Array project plans to integrate FAST instruments into synthetic-aperture arrays,[44] which is expected to enhance molecular detection capabilities. Combined observations with FAST and astrochemical modeling will contribute to a deeper understanding of the interactions between CRs and the interstellar medium.
Acknowledgements: X.H.L. acknowledges the support from the Natural Science Foundation of Xinjiang Uygur Autonomous Region (Grant No. 2024D01E37) and the National Science Foundation of China (Grant No. 12473025). This study was funded by the National Natural Science Foundation of China (Grant Nos. 12373026, 12203091, 12173075, and 11973076). WI, JG, and GF would like to thank the Xinjiang Tianchi Talent Program (2024). Tao Yang is grateful for the support from the Xinjiang Tianchi Talent Program (2023) and the Shanghai Natural Science Foundation (Grant No. 22ZR1421400). Xia Zhang thanks the Natural Science Foundation of Xinjiang Uygur Autonomous Region (Grant No. 2022D01A156). It was also partially funded by the Regional Collaborative Innovation Project of Xin jiang Uyghur Autonomous Region (Grant No. 2022E01050). We thank the assistance of the NSRT operators during the observations. The Nanshan 26 m Radio Telescope was partly supported by the Operation, Maintenance, and Upgrading Fund for Astronomical Telescopes and Facility Instruments funded by the Ministry of Finance of China and administered by the Chinese Academy of Sciences. -
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Table
1.
Spectral line parameters of C2S and C3S detected in L1544.
Molecule | Transition | ν | Sμ2 | B | Eu | rms | Tmb | ∫Tmbdv | VLSR | FWHM | |||||||||
(MHz) | (Debye2) | (MHz) | (K) | (mK) | (K) | (K⋅km⋅s−1) | (km⋅s−1) | (km⋅s−1) | |||||||||||
C2S | JN = 21–10 | 22344.0308 | 16.43636 | 6477.75 | 1.60598 | 19.17 | 0.562 | 0.211 (0.030) | 7.160 (0.005) | 0.353 (0.010) | |||||||||
C3S | J = 4–3 | 23122.9836 | 54.88343 | 2890.38 | 2.77441 | 23.29 | 0.146 | 0.057 (0.010) | 7.117 (0.023) | 0.369 (0.050) | |||||||||