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Abstract The first electronic excitation and adiabatic ionization energies of 35 Cl and 37 Cl 4-chlorostyrene were similar, with values of 33,977 ± 2 and 67,972 ± 5 cm −1 , respectively. The general features… Click to show full abstract
Abstract The first electronic excitation and adiabatic ionization energies of 35 Cl and 37 Cl 4-chlorostyrene were similar, with values of 33,977 ± 2 and 67,972 ± 5 cm −1 , respectively. The general features in the obtained vibronic and cation spectra of the two isotopologues were similar. A frequency shift of 1–5 cm −1 was observed on many active vibrations of the 35 Cl and 37 Cl isotopologues of 4-chlorostyrene in the S 1 and D 0 states. This frequency difference at each mode may reflect the degree of Cl atom involvement in the overall vibration.
Journal Title: Chemical Physics Letters
Year Published: 2017
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