1. Far Infrared Spectroscopy of Anti-Vinyl Alcohol
Hayley Bunn & Paul Raston
Far Infrared Spectroscopy of Anti-Vinyl Alcohol
The 71st International Symposium on Molecular Spectroscopy
June 2016, Champaign-Urbana
adelaide.edu.au

2. Vinyl Alcohol Asymmetric Top Cs symmetryb a c
Vinyl Alcohol
Acetaldeyde
Asymmetric Top
Cs symmetry
15 Fundamental Modes; 11 a’ and 4 a”
University of Adelaide

3. University of Adelaide

4. Rotamers + torsion Syn-Vinyl alcohol Anti-Vinyl alcohol
University of Adelaide

5. Previous Work Syn conformer observed in microwave
S. Saito, Chem. Phys. Lett. 42, 3 (1976)
and infrared where 9 out of 15 IR modes were observed
D-L Joo, et al. J. Mol. Spec. 197, 68 (1999)
Anti conformer has only been observed in microwave region M. Rodler, J. Mol. Spec. 114, 23 (1985)
Syn-Vinyl alcohol
Anti-Vinyl alcohol
University of Adelaide

6. Experimental ∆ + University of Adelaide
University of Adelaide

7. b
Spectra a c
University of Adelaide

8. Fit
Hot Band
Fundamental
University of Adelaide

9. Rotational constants (cm-1)
Ground state
V15 = 1
V15 = 2 A B C
Centrifugal distortion constants (cm-1)
105 ΔK
106 ΔJK
107 ΔJ
107 δK
108 δJ
109 HK
University of Adelaide

10. Constants B A C
University of Adelaide

11. Rotational constants (cm-1)
Ground state (v=0)
Rotational constants (cm-1)
Experimental
Literature MW A B C
Centrifugal distortion constants (cm-1)
105 ΔK
106 ΔJK
107 ΔJ
106 δK
108 δJ
109 HK -
M. Rodler, J. Mol. Spec. 114, 23 (1985).
University of Adelaide

12. Rotational constants (cm-1)
Calculations
Ground state
V15 = 1-0
Rotational constants (cm-1)
Experimental
Calculated A B C
Centrifugal distortion constants (cm-1)
105 ΔK -
106 ΔJK
107 ΔJ
107 δK
108 δJ
109 HK
University of Adelaide

13. Rotational constants (cm-1)
Ground state
V15 = 1
V15 = 2 A B C
Centrifugal distortion constants (cm-1)
105 ΔK
106 ΔJK
107 ΔJ
107 δK
108 δJ
109 HK
University of Adelaide

14. Perturbations
University of Adelaide

15. Perturbations
University of Adelaide

16. Rotamers + torsion Syn-Vinyl alcohol Anti-Vinyl alcohol
University of Adelaide

17. Future work He droplets Stark spectroscopy Syn-VA Anti-VA
University of Adelaide

18. Acknowledgements Paul Raston (supervisor) Greg Metha (supervisor)
Rohan Hudson + Greg Metha’s group
Tao Liang
Gary Douberly’s lab (Alaina and Joe)
University of Adelaide