Band
Title
68490.0 cm-1: A 1Π ← X 1Σ⁺ (3,0) of 12C16O in natural CO - phase alpha
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
A 1Π ← X 1Σ⁺ (3,0) intervalence charge transfer 12C16O CO 12C⁻≡ 16O⁺ site degeneracy double site
Characteristics summary
Peak position
(cm-1)
Center position
(cm-1)
Width
(cm-1)
Shape Asymmetry factor Peak intensity
(cm-1)
Peak intensity relative Peak strength Integrated intensity
(cm-2)
Integrated intensity relative Integrated strength Temperature
(K)
Pressure
(bar)
68490 ± 190 68590 ± 50 1020 ± 5 gaussian 0.945 vvs 0.916 vvs 8.0
Label
A 1Π ← X 1Σ⁺ (3,0)
Category
electronic transition
Method
comparison with gas phase

Evaluation

Level
fully assigned
Evaluation
validated
Comments
Fourth positive band system (Cameron system), (ν',ν”) = (3,0)
# Multiplicity type Degeneracy Other band
1 site degeneracy double site
Contribution comments
crystal field splitting (Davidov splitting) possibly seen on this band
Primary specie
12C16O
Comments
probably degenerated/strongly blended contributions from site A and E

Electronic modes

Label (type)
A 1Π ← X 1Σ⁺ (intervalence charge transfer)

Vibration modes

Label (type)
1 (stretching)       Bond: 12C⁻≡ 16O⁺
Comments
(ν',ν”) = (3,0)

Temperature

Temperature
8.0 ± 1.0 K
Formation temperature
8.0 K
Method #1
spectrum fit: deconvolution of the whole spectrum with 15 gaussians
Fit function
Gaussian: center = 145.8 nm, width = 2.17 nm, area = 3.16 10-17 cm2.nm
Overlap
extracted
Peak
68490 ± 190 cm-1 (peak)
Center
68590 ± 50 cm-1 (fit center)
Evaluation
validated
Quality
E
FWHM
1020 ± 5 cm-1 (fit fwhm)
Shape
gaussian
Evaluation
validated
Quality
E
Method
fit intensity
Relative intensity
0.945 ± 0.003
Strength
very very strong (vvs)
Evaluation
validated
Quality
A
Comments
intensity relative to the strongest VUV band at 67200 cm-1 (148.8 nm)
Method
fit integrated intensity
Relative intensity
0.916 ± 0.003
Strength
very very strong (vvs)
Evaluation
validated
Quality
A
Comments
intensity relative to the strongest VUV band at 67200 cm-1 (148.8 nm)