Vertical and adiabatic ionization energies and electron affinities of new silicon-carbon (SinC) and silicon-oxygen (SinO) (n = 1-3) molecules

Electronic Absorption Spectra of SiC- and SiC in Neon Matrices

“…SiC, as well as the good agreement with ab initio predictions, 13,14 the top spectrum in Figure 1 is assigned to the A 2 Π r X 2 Σ + transition of SiC -.…”

“…13,14 The excited state vibrational frequency has been calculated as 951 cm -1 , 14 and values of 949 and 5.5 cm -1 have been reported for ω e and ω e x e , respectively. 13 From the position of the three members of the vibrational progression in the matrix spectrum (Table 1) Absorption spectrum of the A 2 Π r X 2 Σ + electronic transition of SiC -in a 5 K neon matrix (top).…”

The electronic spectrum of the SiC radical: A theoretical study

“…The millimeter-wave rotational spectra with hyperfine structure of two stable isotopes with nuclear spin, namely 29 SiC and Si 13 C, were detected in the ground state [20,21]. The vibrational and adiabatic ionization energies and electron affinities of Si n C and Si n O (n = 1-3) molecules have been reported by Boldyrev et al [22] from large-scale ab initio calculations at different levels of correlation.…”

Untangling the chemical evolution of Titan's atmosphere and surface–from homogeneous to heterogeneous chemistry

“…Our measured ionization energy of 9.2 eV for Si 2 C agrees extremely well with the calculated adiabatic value of 9.2±0.2 eV at various levels of theory for a transition to a linear 2 Σ u + state in the cation. 123 The same authors also calculated ionization energies for Si 3 C using similar methods and suggest a determinations. There could be multiple isomers present in the molecular beam, coupled with different Franck-Condon factors for these isomers and these are probably being reflected in the gentle rise and absence of sharp onsets in this set of PIE curves.…”