Calcium Chemistry in Carbon-rich Circumstellar Environments: The Laboratory and Astronomical Discovery of Calcium Dicarbide, CaC2 * * This work is based on observations done using the 100 m Green Bank Telescope (GBT), the Yebes 40 m telescope (projects 19A010, 20A017, 20B014, and 21A019), and the IRAM 30 m telescope. The 100 m GBT is an instrument of the Green Bank

Abstract

Calcium dicarbide, CaC2, has been characterized at high resolution in the laboratory, and its main isotopologue, 40CaC2, has been assigned to 14 rotational emission lines between 14 and 115 GHz, including 12 previously unassigned lines, in the expanding molecular envelope of the evolved carbon star IRC+10216. Aided by high-level quantum calculations and measurements of multiple isotopologues, CaC2 is determined to be a T-shaped molecule with a highly ionic bond linking the metal atom to the C2 unit, very similar in structure to isovalent magnesium dicarbide (MgC2). The excitation of CaC2 is characterized by a very low rotational temperature of 5.8 ± 0.6 K and a kinetic temperature of 36 ± 16 K, similar to values derived for MgC2. On the assumption that the emission originates from a 30″ shell in IRC+10216, the column density of CaC2 is (5.6 ± 1.7) × 1011 cm−2. CaC2 is only the second Ca-bearing molecule besides CaNC and only the second metal dicarbide besides MgC2 identified in space. Owing to the similarity between the predicted ion–molecule chemistry of Ca and Mg, a comparison of the CaC2 abundance with that of MgC2 and related species permits empirical inferences about the radiative association–dissociative recombination processes postulated to yield metal-bearing molecules in IRC+10216 and similar objects.