CARLOS CABEZAS SANTIAGO MATA JC GUILLEMIN JL ALONSO The microwave spectrum of lactaldehyde the simplest chiral sugar UrbanaChampaign June 2017 Sugars in space GLYCOLALDEHYDE ID: 632011
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Slide1
E.R. ALONSO, L. KOLESNIKOVÁ, CARLOS CABEZAS, SANTIAGO MATA, J.C. GUILLEMIN, J.L. ALONSO
The microwave spectrum of lactaldehyde, the simplest chiral sugar.
Urbana-Champaign
June 2017Slide2
Sugars in space:
GLYCOLALDEHYDE
Detected
(Hollis et
al.
2000)
*
GLYCERALDEHYDE
Non Detected
(
Lovas
et al.
2003)
LACTALDEHYDE
Non data available
?
?
*Slide3
LACTALDEHYDE
LACTALDEHYDE, EVIDENCES OF POSSIBLE CANDIDATE TO BE PRESENT IN THE ISMS
Marcellus et al. PNAS
, 2015, 112(4) | 965–970Slide4
WHY IS THERE NO DATA OF LACTALDEHYDE?
DIMERIZATION
HYDROXYACETONE
THERMODYNAMICALLY MORE STABLE ISOMER
LACTALDEHYDESlide5
HOW COULD WE BREAK FREE THE LACTALDEHYDE IN GAS PHASE?
STANDARD HEATING METHODS
HYDROXYACETONE
THERMODYNAMICALLY MORE STABLE ISOMER
LASER ABLATION
*
¿
¿
Could the laser ablation produce
dedimerization
?
¿
¿Slide6
LA-CP-FTMW
spectrometer
LASER Nd-YAG
*Slide7
Jet
Nd:YAG laser
Rotary
Diffusion
pump
Gas pulse
Laser pulse
Ne
LA-CP-FTMW
spectrometerSlide8
Polarization
MW field
Rotary
Diffusion
pump
Gas pulse
Laser pulse
Chirped
MW pulse
Ne
CP-FTMW
spectrometer
LA-CP-FTMW
spectrometerSlide9
Molecular emission
FT
Detection
Gas pulse
Laser pulse
Rotary
Diffusion
pump
Ne
CP-FTMW
spectrometer
Chirped
MW pulse
Detection
Frequency-domain
Time-domain
LA-CP-FTMW
spectrometerSlide10
The
rotational
spectrum
Try to identify possible lines of the
lactaldehyde
dimeric form conformers
6-18GHz
23k
acqSlide11
Lactaldehyde
dimeric
form
:
µ=0
µ=0Slide12
Lactaldehyde
dimeric
form:
MP2/6-311++g(
d,p
)Slide13
The
rotational
spectrum
DIMERIC FORM
*Slide14
The
rotational
spectrum
DIMER 1
A/MHz: 2007.94052
( 58
)
B
/MHz
:
1155.16487
( 38
)
C/MHz
:
866.77727(31)
- Very
intense b-type
transitions
- Intense
c-type
lines transitionsSlide15
The
rotational
spectrum
DIMER 1
A/MHz: 2007.94052
( 58
)
B
/MHz
:
1155.16487
( 38
)
C/MHz
:
866.77727(31)
- Very
intense b-type
transitions
- Intense
c-type
lines transitions
DIMER 2
A/MHz:
1996.16046(68
)
B/MHz
: 1165.56439(40
)
C/MHz
:
850.74327(30)
- Weak
c-type
transitions
- Very weak b-type transitionsSlide16
Dimeric
form
characterization
:
MP2/6-311++g(
d,p
)Slide17
Dimeric
form
characterization:
55 transitions
measured
44 transitions
measured
MP2/6-311++g(
d,p
)Slide18
Dimeric
form
characterization:
CONFORMER
IIISlide19
Dimeric
form
characterization:
MP2/6-311++g(
d,p
)Slide20
Monomeric
form
characterization
:
Look for lines of the
lactaldehyde
monomeric form
DIMERIC FORM
*Slide21
Monomeric
form
characterization:
MP2/6-311++g(
d,p
)Slide22
Monomeric
form
characterization
:
DIMERIC FORM
*
MONOMERIC FORM
Slide23
Monomeric
form
characterization:
21 transitions measured
MP2/6-311++g(
d,p
)
DIMERIC FORM
*
MONOMERIC FORM
Slide24
Lactaldehyde
caught
in the gas
phase
:Slide25
What
comes
next
?
Until now:
Characterization of the more stable
monomeric form
of
lactaldehyde
in gas phase
Characterization of
the
more stable
dimeric forms
of lactaldehyde in gas phase
Microwave spectrum recorded within 6-18GHz
Next step:
Extend the measurements up to 40GHz.Slide26
CSD 2009-00038
Molecular Astrophysics
(FP/2007-2013) / ERC-2013-SyG
Grant
No.
610256
Acknowledgements
Finantial
support
Pr. José L. Alonso
GEM , Edificio
Quifima
, Unidad Asociada CSIC,
Universidad de Valladolid
Valladolid,
Spain
Grants
: CTQ 2013- 40717-P
CTQ 2016- 76393- P
Grants
:
VA175U13
VA077U16