Reference data for isolated pyrrole

Maris, Assimo (2025) Reference data for isolated pyrrole. University of Bologna. DOI 10.6092/unibo/amsacta/8327. [Dataset]
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Abstract

The dataset includes input and output files for the fitting of the rotational and vibrorotational transition lines related to the v=0,1,2 vibrational states of the NH out-of-plane bending motion of pyrrole in the gas phase using the SPFIT program of the CALPGM suite. The following information is provided: (i) fitting files for the normal species including pure rotational line transition of the ground and first excited vibrational state and vibrorotational bands of the fundamental, first overtone, and first hot band using the S-reduction and the Watson's III-l representation. (ii) fitting files for the normal species including pure rotational line transition of the ground and first excited vibrational state and vibrorotational bands of the fundamental, first overtone, and first hot band using the Watson's S-reduction and the I-r representation. (iii) fitting files for the rotational transition lines of the 13C2 isotopologue using the Watson's S-reduction and the III-l representation. (iv) fitting files for the rotational transition lines of the 13C3 isotopologue using the Watson's S-reduction and the III-l representation.

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Maris, AssimoUniversity of Bologna0000-0003-2644-0023
Parole chiave
Pyrrole, Rotational spetrum, Vibrorotational spectrum, Hyperfine structure
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Maris, Assimo
University of Bologna
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28 Apr 2025 15:01
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28 Apr 2025 15:01
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