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Mononitrogen monosulfide


Constants of diatomic molecules

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: K.P. Huber and G. Herzberg

Data collected through May, 1977

Symbols used in the table of constants
SymbolMeaning
State electronic state and / or symmetry symbol
Te minimum electronic energy (cm-1)
ωe vibrational constant – first term (cm-1)
ωexe vibrational constant – second term (cm-1)
ωeye vibrational constant – third term (cm-1)
Be rotational constant in equilibrium position (cm-1)
αe rotational constant – first term (cm-1)
γe rotation-vibration interaction constant (cm-1)
De centrifugal distortion constant (cm-1)
βe rotational constant – first term, centrifugal force (cm-1)
re internuclear distance (Å)
Trans. observed transition(s) corresponding to electronic state
ν00 position of 0-0 band (units noted in table)
Diatomic constants for 14N32S
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
Theoretical potential curves for most of the observed valence states have been calculated by Bialski and Grein, 1976.
F 2Delta     [0.8367] 1   [1.05E-6]  [1.4384] F rarrow X V 55959.8 Z
Joshi, 1966; missing citation
            56181.3 Z
Joshi, 1966; missing citation
J 2Sigma+     [(0.825)] 2     [(1.449)] J rarrow X V 55562
Vervloet and Jenouvrier, 1976
            55784
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
E 2Pir 3    [0.821] 3     [1.452] E rarrow X 51154 3
Joshi, 1966; missing citation
            51330 3
I 2Sigma+ (44400) [1008]   [0.6940] 4   [5E-6]  [1.5793] I rarrow X R 44050.1 Z
missing citation; Joshi, 1966; Narasimham and Subramanian, 1969; missing citation; Vervloet and Jenouvrier, 1976
            44271.6 Z
H 2Pii (44049) 5 767.6 5.0  [0.5972] 6 0.0059  [1.75E-6]  1.702 H rarrow X R 43824.6 Z
missing citation; Jenouvrier and Pascat, 1973; Vervloet and Jenouvrier, 1976
43876 767.6 5.0  [0.5915] 6 0.0059    1.702 H rarrow X R 43429.6 Z
missing citation; Jenouvrier and Pascat, 1973; Vervloet and Jenouvrier, 1976
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
C 2Sigma+ 43290 [1389] 7  [0.8275] 7  [1.2E-6]  [1.4464] C lrarrow X 8 9 V 43165.9 Z
Fowler and Bakker, 1932; missing citation; Barrow, Downie, et al., 1952; missing citation; Narasimham and Subramanian, 1969; missing citation; missing citation
            43387.4 Z
Fowler and Bakker, 1932; missing citation; Barrow, Downie, et al., 1952; missing citation; Narasimham and Subramanian, 1969; missing citation; missing citation
G 2Sigma- 43346 [879.8] Z   [0.6905] 10 11  [2.5E-6]  [1.5834] G rarrow X R 42956.8 Z
missing citation
            43178.3 Z
missing citation
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
A 2Deltar (40046) [934.4] Z 12  12 12     A lrarrow X 9 R 39688.1 Z
Fowler and Bakker, 1932; Barrow, Drummond, et al., 1954; missing citation; Narasimham and Subramanian, 1969; missing citation
40005 [943.9] Z 8.4 H  [0.6850] 12    [1.5897]  39875.7 Z
Fowler and Bakker, 1932; Barrow, Drummond, et al., 1954; missing citation; Narasimham and Subramanian, 1969; missing citation
B' 2Sigma+ (36255) (1060) (15)  (0.78) 13     (1.49) B' rarrow X (35952) 13
Narasimham, Raghuveer, et al., 1975; Jenouvrier and Daumont, 1976
            (36174) 13
Narasimham, Raghuveer, et al., 1975; Jenouvrier and Daumont, 1976
StateTeomegaeomegaexeomegaeyeBealphaegammaeDebetaereTrans.nu00
B 2Pir 30384.1 798.78 Z 3.59  0.6013 14 0.0046  1.3E-6  1.697 B rarrow X R 29953.6 Z
Narasimham and Srikameswaran, 1963; Smith and Meyer, 1964; missing citation; Goudmand and Dessaux, 1967; missing citation; Vidal, Dessaux, et al., 1969; missing citation
30294.9 797.31 Z 3.72  0.5962 14 0.0048  1.3E-6   B rarrow X R 30085.1 Z
Narasimham and Srikameswaran, 1963; Smith and Meyer, 1964; missing citation; Goudmand and Dessaux, 1967; missing citation; Vidal, Dessaux, et al., 1969; missing citation
X 2Pir 221.5 15 1218.7 Z 7.28  [0.775156] 16 0.00635  1.2E-6  1.49402 17  
Amano, Saito, et al., 1969
0    [0.769602] 16     18  
Carrington and Levy, 1966; Carrington, Howard, et al., 1968; Uehara and Morino, 1969

Notes

1Intensity perturbations and predissociations in both doublet components.
2Only fragments observed.
3Approximate deperturbed constants, A ~ +45. This level is strongly perturbed by v=11 of H 2Pii (B11 = 0.525, A11 = -110).
4Spin doubling constant gamma0 ~ +0.1 for N leq~ 20. The spin splitting increases rapidly at higher N because of a perturbation by H 2Pi(v=1). I 2Sigma+(v=1) (B1 ~ 0.695) interacts with H 2Pi(v=2) at somewhat lower N values. A strong homogeneous interaction with levels of C 2Sigma+ explains the larger than expected DeltaG(1/2) value of I 2Sigma+.
5A0 = -172.3.
6Perturbations by levels of E, I, C; see 3, 4, 7.
7DeltaG(3/2) = 1414 Vervloet and Jenouvrier, 1976, DeltaG(5/2) ~ 1372, DeltaG(7/2) ~ 1378 Joshi, 1966. B1 ~ 0.7975, B2 ~ 0.8150 Vervloet and Jenouvrier, 1976; Balasubramanian and Narasimham, 1974 give B0 = 0.82876 and D0 = 1.404E-6 as well as gamma0 = +0.0055. C 2Sigma+ interacts strongly with I 2Sigma+; in addition, v=1 is extensively perturbed by H 2Pi(v=2) and G 2Sigma-(v=2).
8Estimated lifetime tau(v=0) ~6.5 ns [Hanle effect measurements Silvers and Chiu, 1974].
9Observed in absorption by Donovan and Breckenridge, 1971 following the flash photolysis of OCS in the presence of excess N2O.
10Spin doubling constant gamma0 = +0.034.
11B1 = 0.6780.
12The A state is strongly perturbed, particularly the 2Delta5/2 component [see Jenouvrier and Pascat, 1973]; the DeltaG(1/2) values are from Barrow, Drummond, et al., 1954, omegaexe from Narasimham and Srikameswaran, 1963, 2, and B0 from Jenouvrier and Pascat, 1973. Additional constants may be found in these references but, because of the perturbations, have limited meaning. Jenouvrier and Pascat, 1973 suggest that the perturbing state is 2Phi5/2.
13Only the 1-0 band has been observed and analyzed (B1 = 0.7716, v0 = 37203.9 and 36982.5). The v=0 level of 14N32S interacts with B 2Pi1/2(v=8) Jenouvrier and Daumont, 1976; weak emission from this level was observed for 15N32S Jenouvrier and Daumont, 1976.
14Several perturbations. Except for v=8 (see 13), these interactions have not yet been analyzed.
15A0 = +222.94, A1 = +223.09, recalculated by Amano, Saito, et al., 1969 from the data of Zeeman, 1951.
16Lambda-type doubling, Delta vfe = +0.013253(J+1/2) Amano, Saito, et al., 1969.
17Microwave sp. 21
18EPR sp. (2Pi3/2)
19Estimate based on a linear Birge-Sponer extrapolation for the ground state O'Hare, 1970. Ab initio calculations O'Hare, 1970 give 5.2 eV.
20From the photoelectron spectrum Dyke, Morris, et al., 1977.
21muel(2Pi1/2,v=0) = 1.81 D from Stark effect measurements in the rotation spectrum Amano, Saito, et al., 1969; Carrington, Howard, et al., 1968, using the EPR method, obtained 1.35 D. This value was recently revised to 1.86 D Byfleet, Carrington, et al., 1971. See also O'Hare, 1970. Hyperfine coupling constants Carrington, Howard, et al., 1968, Amano, Saito, et al., 1969, Uehara and Morino, 1969.
22D00(NS) + I.P.(S) - I.P.(NS).
23Vibrational constants from the photoelectron spectrum 30.
24Estimated value from a Franck-Condon factor analysis of the photoelectron peaks Dyke, Morris, et al., 1977.

References

Go To: Top, Constants of diatomic molecules, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Bialski and Grein, 1976
Bialski, M.; Grein, F., Theoretical studies on low-lying valence states of NS, SiF, and CCl, J. Mol. Spectrosc., 1976, 61, 321. [all data]

Joshi, 1966
Joshi, K.C., The emission spectrum of the NS molecule, Z. Phys., 1966, 191, 126. [all data]

Vervloet and Jenouvrier, 1976
Vervloet, M.; Jenouvrier, A., Etats Rydberg de NS. Etude du domaine spectral 2400-1750 Å, Can. J. Phys., 1976, 54, 1909. [all data]

Narasimham and Subramanian, 1969
Narasimham, N.A.; Subramanian, T.K.B., Isotope shift studies in the spectra of NS and PS, J. Mol. Spectrosc., 1969, 29, 294. [all data]

Jenouvrier and Pascat, 1973
Jenouvrier, A.; Pascat, B., Etats de valence de NS dans le domaine 2250-3800 Å, Can. J. Phys., 1973, 51, 2143. [all data]

Fowler and Bakker, 1932
Fowler, A.; Bakker, C.J., The band spectrum of nitrogen sulphide (NS), Proc. R. Soc. London A, 1932, 136, 28. [all data]

Barrow, Downie, et al., 1952
Barrow, R.F.; Downie, A.R.; Laird, R.K., The spectrum of NS, Proc. Phys. Soc. London Sect. A, 1952, 65, 70. [all data]

Barrow, Drummond, et al., 1954
Barrow, R.F.; Drummond, G.; Zeeman, P.B., Rotational analysis of the «beta» band system of the NS molecule, Proc. Phys. Soc. London Sect. A, 1954, 67, 365. [all data]

Narasimham, Raghuveer, et al., 1975
Narasimham, N.A.; Raghuveer, K.; Balasubramanian, T.K., A new electronic transition in NS, J. Mol. Spectrosc., 1975, 54, 160. [all data]

Jenouvrier and Daumont, 1976
Jenouvrier, A.; Daumont, D., The B'2«SIGMA»+ state of NS, J. Mol. Spectrosc., 1976, 61, 313. [all data]

Narasimham and Srikameswaran, 1963
Narasimham, N.A.; Srikameswaran, K., A new 2«PI»-X2«PI» band system of nitrogen sulphide, Nature (London), 1963, 197, 370. [all data]

Smith and Meyer, 1964
Smith, J.J.; Meyer, B., Characterization of the B2«PI» state of NS in the emission from active nitrogen-sulfur flames, J. Mol. Spectrosc., 1964, 14, 160. [all data]

Goudmand and Dessaux, 1967
Goudmand, P.; Dessaux, O., Formation de molecules NS et NSe electroniquement excitees dans les reactions de l'azote actif sur les chlorures de soufre et de selenium, J. Chim. Phys. Phys.-Chim. Biol., 1967, 64, 135. [all data]

Vidal, Dessaux, et al., 1969
Vidal, B.; Dessaux, O.; Marteel, J.-P.; Goudmand, P., Sur l'emission de nouvelles bandes du systeme B2«PI» - X2«PI» de NS dans des reactions chimiluminescentes, C.R. Acad. Sci. Paris, Ser. C, 1969, 268, 2140. [all data]

Amano, Saito, et al., 1969
Amano, T.; Saito, S.; Hirota, E.; Morino, Y., Hyperfine interactions and «lambda»-type doubling in the microwave spectrum of the NS radical, J. Mol. Spectrosc., 1969, 32, 97. [all data]

Carrington and Levy, 1966
Carrington, A.; Levy, D.H., Electron resonance studies of free radicals in the gas phase. Detection of ClO, BrO, and NS, J. Chem. Phys., 1966, 44, 1298. [all data]

Carrington, Howard, et al., 1968
Carrington, A.; Howard, B.J.; Levy, D.H.; Robertson, J.C., Gas phase electron resonance spectrum of NS, Mol. Phys., 1968, 15, 187. [all data]

Uehara and Morino, 1969
Uehara, H.; Morino, Y., Molecular structure of the NS free radical by gas-phase electron paramagnetic resonance, Mol. Phys., 1969, 17, 239. [all data]

Balasubramanian and Narasimham, 1974
Balasubramanian, T.K.; Narasimham, N.A., Reinvestigation of the «beta» and the «gamma» band systems of NS, J. Mol. Spectrosc., 1974, 53, 128. [all data]

Silvers and Chiu, 1974
Silvers, S.J.; Chiu, C.-L., Fluorescence and zero-field level crossing spectroscopy of the C2«SIGMA»+ state of NS, J. Chem. Phys., 1974, 61, 1475. [all data]

Donovan and Breckenridge, 1971
Donovan, R.J.; Breckenridge, W.H., Reaction of S(31D2) with N2O, Chem. Phys. Lett., 1971, 11, 520. [all data]

Narasimham and Srikameswaran, 1963, 2
Narasimham, N.A.; Srikameswaran, K., The «beta»- and «gamma»-band systems of 14NS and 15NS, Proc. Indian Acad. Sci. Sect. A, 1963, 56, 316. [all data]

Zeeman, 1951
Zeeman, P.B., Rotational analysis of the «gamma» band system of the NS molecule, Can. J. Phys., 1951, 29, 174. [all data]

O'Hare, 1970
O'Hare, P.A.G., Dissociation energies, enthalpies of formation, ionization potentials, and dipole moments of NS and NS+, J. Chem. Phys., 1970, 52, 2992. [all data]

Dyke, Morris, et al., 1977
Dyke, J.M.; Morris, A.; Trickle, I.R., Characterization of the ground ionic state of the NS molecule using photoelectron spectroscopy, J. Chem. Soc. Faraday Trans. 2, 1977, 73, 147. [all data]

Byfleet, Carrington, et al., 1971
Byfleet, C.R.; Carrington, A.; Russell, D.K., Electric dipole moments of open-shell diatomic molecules, Mol. Phys., 1971, 20, 271. [all data]


Notes

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