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The dipole-bound excited state of the methylene nitrile anion (CH2CN-) hasbeen suggested as a candidate carrier for a diffuse interstellar band (DIB) at803.8 nm. Its corresponding radical has been detected in the interstellarmedium (ISM), making the existence for the anion possible. This work appliesstate-of-the-art ab initio methods such as coupled cluster theory to reproduceaccurately the electronic excitations for CH2CN- and the similar methyleneenolate anion, CH2CHO-. This same approach has been employed to indicate that19 other anions may possess electronically excited states, five of which arevalence in nature. Concurrently, in order to assist in the detection of theseanions in the ISM, work has also been directed towards predicting vibrationalfrequencies and spectroscopic constants for these anions through the use ofquartic force fields (QFFs). Theoretical rovibrational work on anions has thusfar included studies of CH2CN-, C3H-, and is currently ongoing for similarsystems.

Theoretical Electronic and Rovibrational Studies for Anions of Interest to the DIBs