44TiO, v = 1
Titanium monoxide, X 3Δr, 44Ti isotopolog, v = 1
Species tag 060528
Version1*
Date of EntryMay 2021
ContributorH. S. P. Müller

An isotopic independent fit was performed by
(1) H. S. P. Müller, 2021, unpublished.
Data of the 48Ti main isotopic species in v = 0 were reported by
(2) K.-I. Namiki, S. Saito, J. C. Robinson, and T. C. Steimle, 1998, J. Mol. Spectrosc. 191, 176.
The essentially negligible Λ-splitting was ignored; 40 kHz uncertainties were used for the two transitions, as for the remaining data.
Extensive v = 0 isotopic data for 46TiO, 47TiO, 49TiO, and 50TiO were taken from
(3) A. P. Lincowski, D. T. Halfen, and L. M. Ziurys, 2016, Astrophys. J., 833, 9;
The 47TiO and 49TiO data displayed resolved Ti hyperfine splitting throughout.
Additional v = 0 TiO, 46TiO, and 50TiO data were published by
(4) P. Kania, T. F. Giesen, H. S. P. Müller, S. Schlemmer, and S. Brünken, 2008, 33rd Int. Conf. Infrared, Millimeter, Terahertz Waves, 1.
Two TiO transition frequencies in v = 1 and five Ti18O, v = 0 were taken from
(5) A. A. Breier, B. Waßmuth, G. W. Fuchs, J. Gauss, and T. F. Giesen, 2019, J. Mol. Spectrosc. 355, 46.
Extensive, accurate infrared data were reported by
(6) D. Witsch, A. A. Breier, E. Döring, K. M. T. Yamada, T. F. Giesen, and G. W. Fuchs, 2021, J. Mol. Spectrosc. 377, Art. No. 111439.
Some transitions with large residual were omitted.
The transition frequencies are probably reliable thoroughout.
The partition function was evaluated by summation over the first 10 vibrational states. The partition function is converged (in the ground electronic state !) at 2000 K to order 0.0001, and at 3000 K to order 0.01.
Please note that Hund's case (b) quantum numbers are used, as is generally the case in the CDMS. The quantum numbers are N, Λ, v, and J, as expected. The Ω = 1, 2, and 3 transitions appear at increasing frequency for a given J; this is also apparent from the lower state energies. More specifically,
Ω = 1: N = J + 1, Ω = 2: N = J, Ω = 3: N = J – 1, for J ≤ 3.
Ω = 1: N = J, Ω = 2: N = J + 1, Ω = 3: N = J – 1, for 4 ≤ J ≤ 29.
Ω = 1: N = J – 1, Ω = 2: N = J + 1, Ω = 3: N = J, for 30 ≤ J ≤ 39.
Ω = 1: N = J – 1, Ω = 2: N = J, Ω = 3: N = J + 1, for 40 ≤ J; which means that now Hund's (b) quanta are good quantum numbers.
The the ground state dipole moment was taken from
(7) T. C. Steimle and W. Virgo, 2003, Chem. Phys. Lett. 381, 30. Vibrational corrections to the dipole moment may be non-negligible, isotopic or rotational corrections probably are.

Lines Listed85
Frequency / GHz< 1000
Max. J31
log STR0-6.0
log STR1-5.0
Isotope Corr. 
Egy / cm–11011.199
 µa / D3.34
 µb / D 
 µc / D 
 A / MHz 
 B / MHz16271.764
 C / MHz 
 Q(3000.)58092.5369
 Q(2500.)41774.6954
 Q(2000.)28048.1602
 Q(1500.)17035.0551
 Q(1000.)8759.3994
 Q(500.0)3132.7273
 Q(300.0)1554.4466
 Q(225.0)1047.4756
 Q(150.0)593.6978
 Q(75.00)229.2231
 Q(37.50)101.5813
 Q(18.75)51.0408
 Q(9.375)26.9326
detected in ISM/CSMno


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