دورية أكاديمية
Methyl rotor effects on acetone Rydberg spectra. I. The 1A2(3p←n)←1A1 transition.
| العنوان: | Methyl rotor effects on acetone Rydberg spectra. I. The 1A2(3p←n)←1A1 transition. |
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| المؤلفون: | Kundu, Tapanendu, Thakur, Surya N., Goodman, Lionel |
| المصدر: | Journal of Chemical Physics; 10/15/1992, Vol. 97 Issue 8, p5410, 7p |
| مصطلحات موضوعية: | METHYL groups, ACETONE, RYDBERG states |
| مستخلص: | Two-photon spectra of the acetone 1A2(3px←n)←1A1 Rydberg transition obtained by injection seeded excitation determines a2(ν12) and b1(ν17) acetone 1A2 Rydberg state torsional fundamental frequencies as 70.8 cm-1 (ν’12) and 129.4 cm-1 (ν’17) (compared to the ground-state values 77.8 and 124.5 cm-1, respectively). Corresponding values in (CD3)2CO are 49.1 and 98.2 cm-1, compared to 53.4 and 96.0 cm-1 in the ground state. The 1A2 state 2ν’12, 3ν’12, and ν’12 + ν’17 energies are also assigned allowing determination of excited-state potential constants. There are large changes (65–200 cm-1) in these constants from those for the ground state causing significant perturbation in the shape of the 1A2 state potential from that of the ground state. The 1A2 constants are V3=551, V33=349, V’33=-221, and V6=0 cm-1. The effective potential barrier height to internal rotation (202 cm-1) is decreased from the ground state by about 15%, i.e., by ≊35 cm-1; but the barrier height for eclipsed–eclipsed→staggered–staggered synchronous-rotation is increased by ≊300 cm-1 (i.e., ≊35%) to 1103 cm-1. [ABSTRACT FROM AUTHOR] |
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| قاعدة البيانات: | Complementary Index |
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