Table 3
Potentially detectable molecules in AGB atmospheres.
Molecule | Prediction (a) | Electric dipole moment (D) | Rotational spectrum measured? | |||
---|---|---|---|---|---|---|
CH | ~3 × 10−7 | C stars | 1.46 | (Phelps & Dalby 1966) | Yes | (Martin-Drumel et al. 2011) |
CH2 | ~1 × 10−8 | C stars | 0.591 | (Woon & Herbst 2009) | Yes | (Brünken et al. 2005) |
NH | ~5 × 10−10 | M, S, C stars | 1.389 | (Scarl & Dalby 1974) | Yes | (Klaus et al. 1997; Flores-Mijangos et al. 2004; Lewen et al. 2004) |
SiH | ~1 × 10−8 | S, C stars | 0.097 | (Yurchenko et al. 2018) | Yes(b) | (Betrencourt et al. 1986; Ram et al. 1998). See CDMS(c). |
PH | ~1 × 10−10 | M, S, C stars | 0.396 | (CDMS)(c) | Yes | (Goto & Saito 1993; Klisch et al. 1998) |
O2 | ~5 × 10−8 | M stars | 0 (d) | Yes | (Drouin et al. 2010) | |
Si3C | ~1 × 10−7 | S, C stars | ~0.1 | (Stanton et al. 2005) | No | |
Si5C | ~3 × 10−6 | S, C stars | 0.27 | B3LYP/cc-pVTZ(e) | No | |
SiNH | ~1 × 10−8 | S, C stars | 0.34 | (McCarthy et al. 2015) | Yes | (Bogey et al. 1991; McCarthy et al. 2015) |
SiF | ~1 × 10−10 | S, C stars | 1.126 | (Karna & Grein 1987) | Yes | (Tanimoto et al. 1983) |
SiCl | ~1 × 10−9 | S, C stars | 1.53 | (Gosavi & Strausz 1986) | Yes | (Tanimoto et al. 1984) |
PS | ~1 × 10−7 | M stars | 0.565 | (Müller & Woon 2013) | Yes | (Ohishi et al. 1988) |
HPO2 | ~1 × 10−7 | M stars | 1.61 | B3LYP/cc-pVTZ(e) | Yes(b) | (O’Sullivan et al. 2006) |
BO | ~5 × 10−10 | M stars | 2.62 | (CDMS)(c) | Yes | (Tanimoto et al. 1986) |
HBO | ~1 × 10−9 | M, S, C stars | 2.69 | (DeYonker et al. 2005) | Yes | (Kawashima et al. 1987) |
HBO2 | ~1 × 10−9 | M stars | 2.78 | (Dewar et al. 1988) | No | |
BF | ~1 × 10−9 | S, C stars | 0.50 | (Dewar et al. 1988) | No | |
AlH | ~1 × 10−8 | S, C stars | 0.30 | (Matos et al. 1988) | Yes | (Halfen & Ziurys 2004, 2016) |
~1 × 10−9 | M stars | |||||
AlS | ~1 × 10−10 | M stars | 3.63 | (Guichemerre & Chambaud 2000) | Yes | (Takano et al. 1991; Breier et al. 2018) |
AlOF | ~1 × 10−8 | M stars | 1.62 | B3LYP/cc-pVTZ(e) | No | |
MgS | ~4 × 10−9 | M stars | 6.88 | (Fowler & Sadlej 1991) | Yes | (Takano et al. 1989; Walker & Gerry 1997) |
MgO | ~1 × 10−10 | M stars | 6.2 | (Büsener et al. 1987) | Yes | (Törring & Hoeft 1986) |
CaS | ~ 4 × 10−8 | M stars | 10.47 | (CDMS)(c) | Yes | (Takano et al. 1989) |
CaOH | ~ 1 × 10−8 | M stars | 1.465 | (Steimle et al. 1992) | Yes | (Ziurys et al. 1992; Scurlock et al. 1993) |
CaCl | ~ 1 × 10−8 | M stars | 4.257 | (Ernst et al. 1984) | Yes | (Möller et al. 1982; Ernst & Törring |
~ 3 × 10−10 | S, C stars | 1983) | ||||
CaF2 | ~ 1 × 10−8 | M stars | 3.340 | (Szentpály & Schwerdtfeger 1990) | No | |
CaF | ~ 5 × 10−9 | M stars | 3.07 | (Childs et al. 1984) | Yes | (Anderson et al. 1994) |
BaO | ~ 1 × 10−10 | M stars | 7.955 | (Wharton et al. 1962) | Yes | (Tiemann et al. 1974; Hocking et al. 1978; Blom et al. 1992) |
BaS | ~ 1 × 10−10 | M stars | 10.86 | (Melendres et al. 1969) | Yes | (Tiemann et al. 1976; Helms et al. 1980; Janczyk & Ziurys 2006) |
ScO | ~ 1 × 10−9 | M stars | 4.55 | (Shirley et al. 1990) | Yes | (Halfen et al. 2017) |
ScO2 | ~ 1 × 10−9 | M stars | 5.29 | (Gutsev et al. 2000) | No | |
Ti8C12 | ~ 1 × 10−8 | S, C stars | 0.72 | B3LYP/cc-pVTZ + PP for Ti(e) | No | |
ZrO | ~ 1 × 10−9 | M, S, C stars | 2.551 | (Suenram et al. 1990) | Yes | (Suenram et al. 1990; Beaton & Gerry 1999) |
ZrO2 | ~ 1 × 10−9 | M stars | 7.80 | (Brugh et al. 1999) | Yes | (Brugh et al. 1999) |
VO | ~ 5 × 10−9 | M stars | 3.355 | (Suenram et al. 1991) | Yes | (Suenram et al. 1991; Flory & Ziurys 2008) |
VO2 | ~ 1 × 10−8 | M stars | 5.40 | (Gutsev et al. 2000) | No | |
CrS | ~ 1 × 10−9 | M stars | 4.91 | (Bauschlicher & Maitre 1995) | Yes | (Pulliam & Ziurys 2010) |
CrO | ~ 1 × 10−10 | M stars | 3.88 | (Steimle et al. 1989) | Yes | (Sheridan et al. 2002) |
CrCl | ~ 1 × 10−10 | M stars | 6.42 | (Harrison & Hutchison 1999) | Yes | (Oike et al. 1998; Katoh et al. 2004) |
MnH | ~ 1 × 10−10 | M, S, C stars | 10.65 | (Koseki et al. 2006) | Yes | (Halfen & Ziurys 2008) |
FeS | ~ 4 × 10−8 | M stars | 6.46 | (Sharkas et al. 2017) | Yes | (Takano et al. 2004) |
FeO | ~ 3 × 10−10 | M stars | 4.50 | (Steimle et al. 2004) | Yes | (Kröckertskothen et al. 1987; Allen et al. 1996) |
CoH | ~ 1 × 10−7 | M, S, C stars | 1.88 | (Wang et al. 2009) | No | |
NiS | ~ 4 × 10−7 | M stars | 5.38 | (Sharkas et al. 2017) | Yes | (Yamamoto et al. 2007) |
Notes. (a) Maximum calculated mole fraction in the 1–10 R* range and type of AGB star in which the molecule is predicted to be abundant. (b) Rotational spectrum has not been directly measured, but it can be predicted from rotationally resolved vibrational or electronic spectra. (c) Cologne Database for Molecular Spectroscopy (Müller et al. 2005): https://cdms.astro.uni-koeln.de. (d) Rotational transitions radiatively allowed by the nonzero magnetic dipole moment. (e) From quantum-chemical calculations carried out in this study.
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