J/ApJS/228/15 MARVEL analysis of TiO energy levels (McKemmish+, 2017)
MARVEL analysis of the measured high-resolution rovibronic spectra of TiO.
McKemmish L.K., Masseron T., Sheppard S., Sandeman E., Schofield Z.,
Furtenbacher T., Csaszar A.G., Tennyson J., Sousa-Silva C.
<Astrophys. J. Suppl. Ser., 228, 15-15 (2017)>
=2017ApJS..228...15M 2017ApJS..228...15M (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: astronomical databases: miscellaneous; brown dwarfs; molecular data;
opacity; planets and satellites: atmospheres; stars: low-mass
Abstract:
Accurate, experimental rovibronic energy levels, with associated
labels and uncertainties, are reported for 11 low-lying electronic
states of the diatomic 48Ti16O molecule, determined using the
MARVEL (Measured Active Rotational-Vibrational Energy Levels)
algorithm. All levels are based on lines corresponding to critically
reviewed and validated high-resolution experimental spectra taken from
24 literature sources. The transition data are in the 2-22160cm-1
region. Out of the 49679 measured transitions, 43885 are
triplet-triplet, 5710 are singlet-singlet, and 84 are triplet-singlet
transitions. A careful analysis of the resulting experimental
spectroscopic network (SN) allows 48590 transitions to be validated.
The transitions determine 93 vibrational band origins of 48Ti16O,
including 71 triplet and 22 singlet ones. There are 276 (73)
triplet-triplet (singlet-singlet) band-heads derived from Marvel
experimental energies, 123(38) of which have never been assigned in
low- or high-resolution experiments. The highest J value, where J
stands for the total angular momentum, for which an energy level is
validated is 163. The number of experimentally derived triplet and
singlet 48Ti16O rovibrational energy levels is 8682 and 1882,
respectively. The lists of validated lines and levels for 48Ti16O
are deposited in the supporting information to this paper.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
table2.dat 96 49679 *Final input data of spectroscopic transitions in
MARVEL (Measured Active Rotational-Vibrational
Energy Levels) format
table6.dat 41 10564 The 48Ti-16O.energies output file for 48Ti16O
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Note on table2.dat (48Ti-16O.marvel.inp file): See Furtenbacher, Csaszar &
Tennyson (2007JMoSp.245..115F 2007JMoSp.245..115F) and Furtenbacher & Csaszar (2012JQSRT.113..929F 2012JQSRT.113..929F)
for MARVEL details.
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Description of file: "energies" directory (data.tar.gz file) contains the file
48Ti-16OFFNca_33.energies, which contains the relative energies in the
free-floating network incorporating the c1Φ v=3 and a1Δ v=3
states, and three directories containing sorted folders and files with
predicted transition frequencies using the Marvel energies.
See also:
J/ApJ/833/9 : Rotational frequencies of TiO isotopologues (Lincowski+, 2016)
J/MNRAS/463/771 : ExoMol XVIII. VO spectrum (McKemmish+, 2016)
J/MNRAS/454/1931 : ExoMol line lists for CS isotopologues (Paulose+, 2015)
J/MNRAS/437/1828 : ExoMol line list for HCN and HNC (Barber+, 2014)
J/MNRAS/396/1895 : MgI and sTiO index definitions (Cenarro+, 2009)
Byte-by-byte Description of file: table2.dat
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Bytes Format Units Label Explanations
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1- 16 F16.9 cm-1 vt [-24300/25147] Transition wavenumber
18- 27 F10.8 cm-1 e_vt [0/0.6] Estimated uncertainty in
transition wavenumber
29- 37 A9 --- State1 Electronic state of upper energy level (1)
39- 42 A4 --- J1 Total angular momentum of upper level and
rotationaless parity for Π states
44 I1 --- v1 [0/7] Vibrational quantum number of upper level
46- 54 A9 --- State0 Electronic state of lower energy level,
including Ω for triplet states
56- 58 I3 --- J0 [0/170] Total angular momentum of lower level and
rotationaless parity for Π states
60 I1 --- v0 [0/5] Vibrational quantum number of lower level
62- 96 A35 --- ID Unique ID for transition, with reference key for
source (see Table 1) and counting number
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Note (1): Including Ω for triplet states, where Ω=Λ+Σ.
Λ and Σ are projections of the total angular momentum and
the electron spin angular momentum on the internuclear axis,
respectively, of the upper level.
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Byte-by-byte Description of file: table6.dat
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Bytes Format Units Label Explanations
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1- 9 A9 --- State Electronic state
11- 14 A4 --- J Angular momentum
16 I1 --- v [0/7] Vibrational quantum number
18- 29 F12.6 cm-1 E [0/32516] Energy
31- 38 F8.6 cm-1 e_E [0/0.5] Uncertainty in E
40- 41 I2 --- o_E [1/71] Number of transitions used for E and e_E
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History:
From electronic version of the journal
(End) Prepared by [AAS], Emmanuelle Perret [CDS] 12-Apr-2017