Coriolis Interactions in the ν2, ν4a, ν4b, and ν3aStates of Phosphine-d1

Isotopic Effects in XH3 (C3v) Molecules: The Lowest Vibrational Bands of PH2D Reinvestigated

“…3 and 4. Table 5 reproducing a small part of the studied spectrum in the region of the ν 4 band center illustrates, on the one hand, that some weak lines not found in (10) were assigned in our study and, on the other hand, that line positions are reproduced 3-4 times more accurately. Averaged upper state energies obtained from different transitions reaching the same state are reported in Table 6, columns 2 (ν 4 ), Table 6, is the experimental uncertainty of the energy value, equal to one standard deviation in units of 10 −5 cm −1 ; δ is the difference E ex p. − E calc.…”

“…However, our spectrum was only exploited up to 1160 cm −1 and the 1739 transitions should be compared with the 1357 assignments ≤1160 cm −1 in Ref. (10).…”

“…The Coriolis interaction parameters Aζ , Bζ , and Cζ were calculated using the relations of Eq. [10] and the rotational constants A, B, and C from Ref. (11) …”

“…(9,10), because of the large body of more accurate data, and this is of relevance also for the excited states.…”

“…To the contrary, there are only two contributions devoted to the analysis of infrared spectra of the PH 2 D species: the bands ν 2 (a ), ν 3 (a ), ν 4 (a ), and ν 6 (a ) [ν 3a , ν 4a , ν 2 , and ν 4b in the notation of Refs. (9,10)] have been investigated, and an interaction model involving Coriolis resonances between ν 3 , ν 4 and ν 6 has been established (10). As was mentioned in our earlier work (11), we have recorded high-resolution spectra of the PH 2 D molecule in the wide spectral region from 20 to 5000 cm −1 .…”