The infrared (IR) spectrum of PD3 has been recorded in the 1580-1800 cm-1 range at a resolution of 0.0027 cm-1. About 2400 rovibrational transitions with J′ = K′ ≤ 22 have been measured and assigned to the v1 (A1) and v3 (E) stretching fundamentals. These include 506 "perturbation-allowed" transitions with selection rules Δ(k - 1) = ±3. Splitting of the K″ = 3 lines have been observed. Effects of strong perturbations are evident in the spectrum. Therefore the rovibrational Hamiltonian adopted for the analysis explicity takes into account the Coriolis and k-type interactions between the v1 = 1 and v3 = 1 states, includes also several essential resonances within these states. The rotational structure in the v1 = 1 and v3 = 1 vibrational states up to J′ = K′ = 18 was reproduced by fitting simultaneously all experimental data. Thirty-four parameters reproduced 1950 transitions retained in the final cycle with a standard deviation of the fit equal to 4.9 × 10-4 cm-1 (about the precision of the experimental measurements).
Cane' E., Fusina L., Jerzembeck W., Burger H. (2003). The v1 and v3 stretching fundamental bands of PD3. JOURNAL OF MOLECULAR SPECTROSCOPY, 220(2), 242-247 [10.1016/S0022-2852(03)00122-X].
The v1 and v3 stretching fundamental bands of PD3
Cane' E.Primo
;Fusina L.
Secondo
;
2003
Abstract
The infrared (IR) spectrum of PD3 has been recorded in the 1580-1800 cm-1 range at a resolution of 0.0027 cm-1. About 2400 rovibrational transitions with J′ = K′ ≤ 22 have been measured and assigned to the v1 (A1) and v3 (E) stretching fundamentals. These include 506 "perturbation-allowed" transitions with selection rules Δ(k - 1) = ±3. Splitting of the K″ = 3 lines have been observed. Effects of strong perturbations are evident in the spectrum. Therefore the rovibrational Hamiltonian adopted for the analysis explicity takes into account the Coriolis and k-type interactions between the v1 = 1 and v3 = 1 states, includes also several essential resonances within these states. The rotational structure in the v1 = 1 and v3 = 1 vibrational states up to J′ = K′ = 18 was reproduced by fitting simultaneously all experimental data. Thirty-four parameters reproduced 1950 transitions retained in the final cycle with a standard deviation of the fit equal to 4.9 × 10-4 cm-1 (about the precision of the experimental measurements).I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
