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The present fit comprises 13CH3CN data in
v8 = 2 along with v = 0 and
v8 = 1, see also e0425013.cat and e042540.cat.
The fit is described in
(1) H. S. P. Müller, A. Belloche, F. Lewen, and S. Schlemmer,
2026, ACS Earth Space Chem. 10, 578.
In the case of v8 = 2,
the line list includes new measurements employing a sample
highly enriched in CH313CN.
These are transitions with (partially) resolved 14N
hyperfine structure (HFS) splitting between 35 and 252 GHz,
transitions without HFS splitting between 161 and 1091 GHz,
along with transitions between 1090 and 1148 GHz
obtained from samples in natural isotopic composition.
The experimental line lists
with hyperfine splitting as well as
without hyperfine splitting can be accessed with source codes.
Please note that the quantum numbers or their format have been
adjusted slightly with respect to the initial line file
for simplicity and consistency reasons.
Vibrational identifiers in this and related entries are
0 for v = 0,
2 for v8 = 1, l = –1,
3 for v8 = 1, l = +1,
6 for v8 = 2, l = 0,
7 for v8 = 2, l = +2,
8 for v8 = 2, l = –2.
The purely K-dependent terms A and
DK were assumed to agree with
those of the main isotopolog, see e041510.cat.
The transition frequencies should be viewed with caution
if the calculated uncertainties exceed 0.1 MHz.
Please note that the entry contains numerous weak lines
with fairly large uncertainties because
of the low intensity threshoilds.
14N hyperfine splitting may be resolvable
at low values of J and possibly at the highest
K. Therefore, a calculation
with hyperfine splitting is provided up to
J' = 15 (270 GHz).
Please note that the partition function does include now
the spin-multiplicities of 14N !
Please pay attention to the upper state degenercies.
The partition function values below refer to the ground
vibrational state only.
Vibrational correction factors have been derived
in the harmonic approximation.
The dipole moment was assumed to agree with
that of the main isotopolog, see e041510.cat.
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