The Possible Interstellar Anion CH2CN-: Spectroscopic Constants, Vibrational Frequencies, and Other Considerations

Abstract

It is hypothesized that the A ^1B_1 <- X ^1A' excitation into the dipole-bound state of the cyanomethyl anion (CH2CN-) is proposed as the carrier for one diffuse interstellar band. However, this particular molecular system has not been detected in the interstellar medium even though the related cyanomethyl radical and the isoelectronic ketenimine molecule have been found. In this study we are employing the use of proven quartic force fields and second-order vibrational perturbation theory to compute accurate spectroscopic constants and fundamental vibrational frequencies for ^1A' CH2CN- in order to assist in laboratory studies and astronomical observations.

References in corpus (4)

• The Diffuse Interstellar Bands: A Major Problem in Astronomical Spectroscopy
• Detection of C5N- and vibrationally excited C6H in IRC +10216
• The CH2CN- molecule: Carrier of the lambda8037 diffuse interstellar band?
• Bimodal AGNs in Bimodal Galaxies

Cited by in corpus (9)

• High-Accuracy Quartic Force Field Calculations for the Spectroscopic Constants and Vibrational Frequencies of 1 ^1A' l-C3H-: A Possible Link to Lines Observed in the Horsehead Nebula PDR
• Spectroscopic Constants and Vibrational Frequencies for l-C3H+ and Isotopologues from Highly-Accurate Quartic Force Fields: The Detection of l-C3H+ in the Horsehead Nebula PDR Questioned
• Methyl Acetate and its singly deuterated isotopomers in the interstellar medium
• Singlet Excited States of Anions with Higher Main Group Elements
• Electronic and Rovibrational Quantum Chemical Analysis of C${}_3$P${}^{-}$: The Next Interstellar Anion?
• Spectroscopic characteristics of the cyanomethyl anion and its deuterated derivatives
• Theoretical Electronic and Rovibrational Studies for Anions of Interest to the DIBs
• The Fundamental Vibrational Frequencies and Spectroscopic Constants of the Dicyanoamine Anion, NCNCN${}^{-}$ (C${}_2$N${}_3^{-}$): Quantum Chemical Analysis for Astrophysical and Planetary Environments
• Observation of a core-excited dipole-bound state $\sim$1 eV above the electron detachment threshold in cryogenically cooled acetylacetonate