PN v = 0 – 5
Phosphorus nitride, X 1Σ+
Species tag 045511
Version2*
Date of EntrySep. 2019
ContributorH. S. P. Müller

The entry was extended in v and in frequency with respect to the first entry from Apr. 2008. The observed ground state transition frequencies of PN and P15N were taken from
(1) G. Cazzoli, L. Cludi, and C. Puzzarini, 2006, J. Mol. Struct. 780–781, 260
.
Excited state PN data were taken from
(2) F. C. Wyse, E. L. Manson, and W. Gordy, 1972, J. Chem. Phys. 57, 1108
.
Also used in the fit were IR data pertaining to the main isotopolog from
(3) A. G. Maki and F. J. Lovas, 1981, J. Mol. Spectrosc. 85, 368
;
and from
(4) I. K. Ahmad and P. A. Hamilton, 1995, J. Mol. Spectrosc. 169, 286
.
The model is similar to that in (1). The highest-J transition frequency of P15N from (1) and four transition frequencies with large residuals from (4) were omitted from the fit. The 14N hyperfine parameter were kept fixed to those from
(5) J. Raymonda and W. Klemperer, 1971, J. Chem. Phys. 55, 232;
and a value for Y03 was estimated.
The predictions should be reliable up to at least 1.5 THz.
At low values of J, 14N hyperfine splitting is resolvable. Therefore, a separate prediction considering 14N hyperfine splitting with J" ≤ 4 is available along with separate partition function values.
The dipole moment values are based on averages from (5) and from
(6) J. Hoeft, E. Tiemann, T. Törring, 1972, Z. Naturforsch. 27a, 703
.

Lines Listed474
Frequency / GHz< 4000
Max. J88
log STR0-17.0
log STR1-20.0
Isotope Corr.-0.0
Egy / cm-10.0, 1323.155, 2632.48, ...
 µa / D2.75104 - 0.00858(v + 0.5)
 µb / D 
 µc / D 
 A / MHz 
 B / MHz23578.238 - 165.971(v + 0.5) - ...
 C / MHz 
 Q(3000.)5791.1075
 Q(2500.)4237.5376
 Q(2000.)2929.0389
 Q(1500.)1866.9630
 Q(1000.)1047.0995
 Q(500.0)454.4776
 Q(300.0)267.0559
 Q(225.0)200.0271
 Q(150.0)133.4101
 Q(75.00)66.8599
 Q(37.50)33.5951
 Q(18.75)16.9665
 Q(9.375)8.6559
 Q(5.000)4.7833
 Q(2.725)2.7800
detected in ISM/CSMyes (v=0)


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder