BARC/PUB/2015/0026

 
 

Electronic states of carbon disulphide in the 5.5–11.8eV region by VUV photo absorption spectroscopy

 
     
 
Author(s)

Sunanda, K.; Shastri, A.; Das, A. K.; Raja Sekhar, B. N
(A&MPD)

Source

Journal of Quantitative Spectroscopy & Radiative Transfer, 2015. Vol. 151: pp. 76-87

ABSTRACT

The photo absorption spectrum of carbon disulphide (CS2) is recorded using synchrotron radiation in the 5.5–11.8eV region.The richly structured spectrum of CS2 consists of valence and Rydberg transitions upto the first ionization potential (IP) at ~10.1eV and a few discrete peaks above the first IP. The low lying electronic states of CS2 are assigned to the singlet or triplet states originating from{2πg→3πu, 7σg, 8σg, 6σu, 4πu, 3πg, 9σg}, {2πu→3πu, 7σg} and{5σu→3πu} excitations. Rydberg series of type nlλ (l=s, p,d,f and λ=σ,π,δ,ϕ) are observed along with associated vibronic structure in a few low lying members.The derived quantum defect values for the s(~2.0), p(~1.6), d(~0.4) and f(~0.1) Rydberg states are consistent with excitation from sulphurn on-bonding orbitals. The comprehensive experimental work presented here and there visit of the study of electronic spectrum of CS2 gives aclearer picture of the nature and origin of various transitions and helps in interpreting several unassigned peaks.The vibrational features observed above the first IP are attributed to auto ionization from a high lying Rydberg state. Theoretical calculations using the time dependent density functional theory method assistsin evaluating vertical excitation energies, nature of the transitions and confirming or suggesting electronic assignments of a few low lying valence transitions where ambiguity existed.

 
 
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