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The (1,0,0,0) state undergoes anharmonic, non-resonant
interaction with the (0,0,2,0), (0,0,0,4), and (0,1,0,1)
states. Moreover, the latter two states are in resonant
interaction. The interactions among these states have been
analyzed for the first time by
(1) K. M. T. Yamada and R. A. Creswell,
1986 J. Mol. Spectrosc. 116, 384.
A considerable amount of transition frequencies
were taken from that work. Additional data were
taken from
(2) L. Mbosei, A. Fayt, P. Dréan, and J. Cosléou,
2000, J. Mol. Struct. 517-518, 271.
Additional data for v4 = 1
were reported by
(3) S. Thorwirth, H. S. P. Müller, and G. Winnewisser,
2000, J. Mol. Spectrosc. 204, 133;
and by
(4) P. D. Mallinson and R. L. de Zafra,
1978, Mol. Phys. 36, 827.
The present analysis follows largely (1); some
additional parameters were estimated from the
data in (3). The ν4 band origin
has not been determined with accuracy. An
estimate was taken from
(5) P. D. Mallinson and A. Fayt,
1976, Mol. Phys. 32, 473.
The 2 ν6 and
ν5 + ν7
band origins were derived from
(6) E. Arie, Dang Nhu M., Ph. Arcas, G. Graner,
H. Bürger, G. Pawelke, M. Khilfi, and F. Raulin,
1990, J. Mol. Spectrosc. 143, 318.
Possible rotational (Coriolis-type) interaction
of (0,0,1,2) with (0,0,2,0) or with (0,0,0,4)
has been neglected in the present analysis.
Transition frequencies with uncertainties larger
than 100 kHz have not been merged.
State number 0 refers to v7 = 4,
state numbers 1, 2, and 3 to v7
= v5 = 1,
l = 0+,
0–, and 2, respectively.
Resonant interaction between (0,0,0,4) and
(0,1,0,1) occurs at J = 10
(2–/0–), 26
(2+/2+), 27
(2–/2–), 32
(2+/0+), 49
(0+/2+), and 57
(0+/0+), respectively.
Predictions in the vicinity of these interactions
should be viewed with caution. Predictions above
700 GHz should also be viewed with caution.
Note: The partition
function does not include any vibrational
corrections. However,
vibrational contributions to the partition function
of HC3N are available.
The dipole moments were estimated or derived from those
of the (0,0,0,0), (0,0,0,1), and (0,0,1,0) states.
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