Probable interstellar MgX− (X = CN, NC, CCH, CC, C3N, NCCC, CCNC, C4H, and C4): A DFT study Original Research Article

The geometries, dipole moments, and rotational constants for several magnesium compounds and their anions were calculated by using the B3LYP/Aug-cc-pVTZ method. The rotational constants of linear forms have been derived to be used for laboratory experiment and astronomical observation.