4.7 Article

Communication: The ground electronic state of Si2C: Rovibrational level structure, quantum monodromy, and astrophysical implications

Journal

JOURNAL OF CHEMICAL PHYSICS
Volume 142, Issue 23, Pages -

Publisher

AMER INST PHYSICS
DOI: 10.1063/1.4922651

Keywords

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Funding

  1. NASA [NNX13AE59G]
  2. NSF [DGE1144083]
  3. Welch Foundation of Houston, Texas [F-1283]
  4. US National Science Foundation [CHE-1361031]
  5. Direct For Mathematical & Physical Scien
  6. Division Of Chemistry [1361031] Funding Source: National Science Foundation
  7. NASA [474607, NNX13AE59G] Funding Source: Federal RePORTER

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We report the gas-phase optical detection of Si2C near 390 nm and the first experimental investigation of the rovibrational structure of its (1)A(1) ground electronic state using mass-resolved and fluorescence spectroscopy and variational calculations performed on a high-level ab initio potential. From this joint study, it is possible to assign all observed K-a = 1 vibrational levels up to 3800 cm(-1) with confidence, as well as a number of levels in the K-a = 0, 2, and 3 manifolds. Dixon-dip plots for the bending coordinate (nu(2)) allow an experimental determination of a barrier to linearity of 783(48) cm(-1) (2 sigma), in good agreement with theory (802(9) cm(-1)). The calculated (K-a, nu(2)) eigenvalue lattice shows an archetypal example of quantum monodromy (absence of a globally valid set of quantum numbers) that is reflected by the experimentally observed rovibrational levels. The present study provides a solid foundation for infrared and optical surveys of Si2C in astronomical objects, particularly in the photosphere of N- and J-type carbon stars where the isovalent SiC2 molecule is known to be abundant. (C) 2015 AIP Publishing LLC.

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