V Ilyushin 1 I Armieieva 1 O Dorovskaya 1 M Pogrebnyak 1 I Krapivin 1 E Alekseev 1 R Motiyenko 2 L Margulès 2 F Kwabia Tchana 3 A Jabri ID: 631654
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Slide1
MICROWAVE AND FIR SPECTROSCOPY OF DIMETHYLSULFIDE IN THE GROUND, FIRST AND SECOND EXCITED TORSIONAL STATES
V. Ilyushin1, I. Armieieva1, O. Dorovskaya1, M. Pogrebnyak1, I. Krapivin1, E. Alekseev1 , R. Motiyenko2, L. Margulès2, F. Kwabia Tchana3, A. Jabri4, L. Manceron5, S. Bauerecker6, C. Maul61 Institute of Radio Astronomy of NASU, Kharkov, Ukraine2 Laboratoire PhLAM, Université de Lille 1, France3 LISA, Université Paris-Est Créteil, Université Paris Diderot, France4Sorbonne Universités, MONARIS, Paris, France5 Synchrotron SOLEIL, Ligne AILES, Gif-sur-Yvette, France6 Institut für Physikalische und Theoretische Chemie, Technische Universität Braunschweig, Braunschweig, GermanySlide2
Motivation
=0.062=0.102PAM_C2v_2tops computer programH = (1/4) knpqr1r2s1s2t1t2 Bknpqr1r2s1s2t1t2 {J2kJznJxpJyq[pAr1pBr2cos(3s1A) cos(3s2B)sin(3t1A)sin(3t2B) + (-1)(n+q) pBr1pAr2cos(3s1B) cos(3s2A)sin(3t1B)sin(3t2A)] + [(-1)(n+q)sin(3t2A)sin(3t1B)cos(3s2A)cos(3s1B)pAr2pBr1 + sin(3t2B)sin(3t1A)cos(3s2B)cos(3s1A)pBr2pAr1]JyqJxpJznJ2k}Slide3
AA
species onlyMotivationSlide4
MW spectrometer in Kharkiv
BWO,34 – 150 GHzPLLIF = 25 MHz FM modulated synthesizer25 MHzKlystron 3.4 – 5.2 GHz PLLIF = 5 MHzAbsorbing cellAmplifierLock-in detectorSine wave synthesizer 7 – 120 KHz DAC
DDS AD9851
30 – 60 MHz
Band-pass amplifier 390-430 MHz
Synthesizer 360 MHz
Frequency divider f/2
Frequency
Doubler
(optional)
Detector
Schottky
Reference synthesizer 390-430 MHzSlide5
THz spectrometer
The Lille THz spectrometerFrequency multiplication chain in frequency range150 – 990 GHz : SynthesizerAgilent E8257D 12.5-18.5 GHzActive multiplier (VDI) x6 75–110GHzMultipl. Passifs (VDI)x2: 150 – 220 GHzx3: 225 – 330 GHzx5: 400 – 500 GHzx6: 500 – 660 GHzx9: 750 – 990 GHzVariable attenuatorBased on solid state sourcesFrequency multiplication techniqueAbsorption cell – stainless steel tube 2.2 mMain detector InSb bolometerIn the range 75 – 330 GHz solid state Schottky diode detectors Slide6
SOLEIL synchrotronSlide7
Fragment of
submillimeter wave spectrum of dimethylsulfidetheoryexperimenttheoryexperimentSlide8
Overview
of the 15 = 1 0 torsional band of DMS149.0177.5206.0cm-1163.25191.75220.25experimenttheorySlide9
Q-branch
182.43182.93183.43cm-1182.68183.18183.68experimenttheorySlide10
Fragment of R-branch
198.66198.78198.90cm-1198.72198.84198.96experimenttheorySlide11
Fragment
of P-branch163.05163.19163.33cm-1163.12163.26163.40experimenttheorySlide12
Reassignment
of the FIR spectra A. Jabri, V. Van, H. V. L. Nguyen, H. Mouhib, F. Kwabia Tchana, L. Manceron, W. Stahl, and I. Kleiner, A&A 589, A127 (2016)AA transitions onlySlide13
Current
workA. Jabri et al., A&A 589, A127 (2016)Unc. # rms # rms5 kHz984.7 kHz 99
5.5
kHz
10
kHz
3814
8
.
7
kHz
3
0
kHz
7871
24
.
1
kHz
4
0
kHz
300
27
.
3
kHz
305
52.7
kHz
5
0
kHz
7134
54
.
7
kHz
18
48.6/ 69.7
kHz
100
kHz
3547
68.0
kHz
180
84.6
kHz
200
kHz
29
90.0
kHz
0.0004 cm
-1
1013
0.00012 cm
-1
578
0.00085 cm
-1
Overview of the data set fit quality
# 23752
lines
in
the
fit
,
wrms
= 0.88, J
max
=60, K
a
max
=30
N
par
= 89
gs
14499
transitions
rms=48.79
kHz
11
=1 10068
transitions
rms=41.30
kHz
15
=1 9223
transitions
rms=48.80
kHz
15
11
875
transitions
rms=39.22
kHzSlide14
More than
22 000 new lines were added to the dataset in the frequency range from 49 GHz to 660 GHzThe dataset consists of 22739 microwave and 1013 FIR lines covering (15, 11) = (0,0),(0,1),(1,0) torsional states. The range of rotational quantum numbers is expanded up to J = 60 and Ka=30Obtained theoretical model containing 89 parameters provides a fit within experimental error (weighted rms 0.88)SUMMARY OF THE FITSlide15
Senent
M. L., Puzzarini C., Dominguez-Gomez R., Carvajal M., Hochlaf M., 2014, J. Chem. Phys., 140, 124302 A. Jabri, V. Van, H. V. L. Nguyen, H. Mouhib, F. Kwabia Tchana, L. Manceron, W. Stahl, and I. Kleiner, A&A 589, A127 (2016)Comparison with ab initio calculations CCSD(T)/AVTZ level15 = 183.5812 cm-1 CCSD/VTZ anharmonic 182 cm-111 = 177.5400 cm-1 CCSD/VTZ anharmonic 177 cm-1Slide16
Thank you for your attention
This work was done under support of the Volkswagen foundation. The assistance of Science and Technology Center in Ukraine is acknowledged (STCU partner project #P686).