Quantum Number Code Translations (one state)

The Table listed below provides examples of how the quantum numbers were resolved based on the "rules" that have been defined by JPL and CDMS. In general, while many of the examples provided below describe how the quantum numbers were translated, many of the molecular species contained in this database and others do NOT follow any exact rule for interpreting the transition. If there are questions on the translation, the user should refer back to the original reference of the molecule. All the references for each species contained in Splatalogue can be found by clicking on the molecular species of interest in the display list. See figure below:


In addition, if the user wants to see the quantum number code, they can turn on the "Quantum Number Code" display contained in the "Miscellaneous" options in the left hand pane.

Code
Number
Molecular
Examples
Electronic
State(s)
Unresolved QN Description and Notes
101 CO, HCN, N2O 1&Sigma N N = J, integer values
102 SO, C2S 3&Sigma N J N, J, integer values
112 AlF, C17O 1&Sigma J F+12 one nuclear spin, I=52 (Al, O)
113 33SO 3&Sigma N J F+12 one nuclear spin, I=32 (Cl)
114 HCCN 3&Sigma N J F1 F+12 two nuclear spins, I=1 (N and H)
123 AlCl 1&Sigma J F+12 F two nuclear spins, I=52(Al) I=32(Cl)
C15N, C2H 2&Sigma N J+12 F one nuclear spin, I=12(15N, H)
133 SiN, MgNC 2&Sigma N J+12 F+12 one nuclear spin, I=1(N)
144 13CN 2&Sigma N J+12 F1 F CDMS: J=N+S, F1=J+I(13C), F=F1+I (N)
N J+12 F2 F JPL: J=N ± S;
F1=S-I (13C)=0, F2=N
F1=S+I(13C)=1, F2=N, N ± 1
(Q=12+2 = 14, for two I=1/2 spins, one I=1)
154 13C2H, 13CCCCH 2&Sigma N J+12 F1 F+12 Q=12, 3 spins of 1/2 (I=1/2, I=1/2, S=1/2),
      N+12=J, J+12=F1, F1+12=F
202 CH3C15N, CH3NC 1A1 N K no hyperfine structure from nitrogen
203 SiC 3&Pi N p J &Omega=1: N=J; &Omega=2: N=J+1; &Omega=2:N=J-1;
Exception: the J=1-0 & J=2-1 don't correspond to above rules
p is 1 or -1; for even J: 1=e & -1=f; for odd J: 1=f & -1=e
13CH3CN 1A1 N K F I=1/2 (13C)
213 SO+ 2&Pir N P J+12 for &Pi1/2: J=N+12; for &Pi3/2: J=N-12
Lower States for odd J: p=1&rarr e ; p=-1 &rarr f
          &Delta J=1, parity changes, but e-e or f-f
CH335Cl 1A1 N K F+12
224 CH, l-C7H, C8H 2&Pir N P J+12 F for &Pi1/2: J=N+12; for &Pi3/2: J=N-12
Lower States for odd J: p=1&rarr e ; p=-1 &rarr f
          &Delta J=0 (&Lambda -doublet), parity changes, but e-f
Lower States for odd J: p=1&rarr e ; p=-1 &rarr f
          &Delta J=1, parity changes, but e-e or f-f
234 SiNC, SiCN 2&Pir N P J+12 F+12
one nuclear spin, I=1 (N)
for &Pi1/2: J=N+12; for &Pi3/2: J=N-12
Lower States for odd J: p=1&rarr e ; p=-1 &rarr f
          &Delta J=1, parity changes, but e-e or f-f
303 HOCO+ N Ka Kc J=N
ND3 J Ka v The K column has some strange alpha codes
304 CH2NH, NH2CHO N Ka Kc J=N
314 CH2CN 2B1 N Ka Kc J+12 there is a separate hyperfine structure calculation
325 HCO 1A' N Ka Kc J+12 F
814 NO, NS 2&Pir J+12 &Omega+12 p F+12 &Omega=1: &Pi1/2; &Omega=2, &Pi3/2
999 CH3OH N Ka Kc p v From CDMS. For JPL CH3OH see code 1303
P is + or - for the A state only
The CDMS data is identical to SLAIM with exception of no calc
   value where measurements are listed.
1202 CF+, CS 1&Sigma N=J v
1224 CN 2&Sigma N v J+12 F
1234 CN 2&Sigma N v J+12 F+12
1303 HCN, HNC, HCO+ 1&Sigma J l/p v
CH3CCH J K v v is always 0 here
NH3, 15NH3 J K v v is 0 or 1 for Os and Oa sym and asy states
CH3OH J K v v=1-4 for diff. A and E labels (use SLAIM)
1304 CH3CN N K v F v=0 ground; v=1 K*l=0 l-doubling; v=2 K*l=0 1v8 CCN bend
1314 N p v F
1325 l-C3H 2&Pir N p v J+12 F
1345 i-C3H 2B2 N Ka Kc J+12 F
1404 CH3OCH3, glycol, c-C3H2 N Ka Kc v
1405 H2CCNH, NH2CO2CH3 N Ka Kc v F The "F" QN can also denote an A or E state as in the case for NH2CO2CH3 or 0s or 0a states as in NH2D
1905 OH 2&Pir J+12 &Omega+12 p v F column 2: 1=&Pi1/2 and 2=&Pi3/2; p is 1 or -1 and v is always 0
Only needs columns 1, 2, 3, 5
2306 CH2 3B1 N Ka Kc J Itot F Itot is 0 or 1
3406 H2NCH2CN N Ka Kc F1 F
6315 CH2CN 2B1 N Ka Kc n F+12 n is a combined quantum number (QN) because more than
     6 QNs are needed
7416 NH2 N Ka Kc v n F Column 4 is always 0; Column 5 ranges from 1-23=unknown