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).
The v1 and v3 stretching fundamental bands of PD3 / Cane' E.; Fusina L.; Jerzembeck W.; Burger H.. - In: JOURNAL OF MOLECULAR SPECTROSCOPY. - ISSN 0022-2852. - STAMPA. - 220:2(2003), pp. 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.
