THE PURE ROTATIONAL SPECTRUM OF PbI FROM BROADBAND ROTATIONAL SPECTROSCOPY

Author(s):  
Daniel Zaleski ◽  
Corey Evans ◽  
Lisa-Maria Dickens ◽  
Nick Walker ◽  
Susanna Stephens ◽  
...  
2019 ◽  
Vol 626 ◽  
pp. A34 ◽  
Author(s):  
J. Cernicharo ◽  
J. D. Gallego ◽  
J. A. López-Pérez ◽  
F. Tercero ◽  
I. Tanarro ◽  
...  

We present a new experimental set-up devoted to the study of gas phase molecules and processes using broad-band high spectral resolution rotational spectroscopy. A reactor chamber is equipped with radio receivers similar to those used by radio astronomers to search for molecular emission in space. The whole range of the Q (31.5–50 GHz) and W bands (72–116.5 GHz) is available for rotational spectroscopy observations. The receivers are equipped with 16 × 2.5 GHz fast Fourier transform spectrometers with a spectral resolution of 38.14 kHz allowing the simultaneous observation of the complete Q band and one-third of the W band. The whole W band can be observed in three settings in which the Q band is always observed. Species such as CH3CN, OCS, and SO2 are detected, together with many of their isotopologues and vibrationally excited states, in very short observing times. The system permits automatic overnight observations, and integration times as long as 2.4 × 105 s have been reached. The chamber is equipped with a radiofrequency source to produce cold plasmas, and with four ultraviolet lamps to study photochemical processes. Plasmas of CH4, N2, CH3CN, NH3, O2, and H2, among other species, have been generated and the molecular products easily identified by the rotational spectrum, and via mass spectrometry and optical spectroscopy. Finally, the rotational spectrum of the lowest energy conformer of CH3CH2NHCHO (N-ethylformamide), a molecule previously characterized in microwave rotational spectroscopy, has been measured up to 116.5 GHz, allowing the accurate determination of its rotational and distortion constants and its search in space.


2019 ◽  
Vol 621 ◽  
pp. A114 ◽  
Author(s):  
Olena Zakharenko ◽  
Frank Lewen ◽  
Vadim V. Ilyushin ◽  
Maria N. Drozdovskaya ◽  
Jes K. Jørgensen ◽  
...  

Methyl mercaptan (also known as methanethiol), CH3SH, has been found in the warm and dense parts of high- as well as low- mass star-forming regions. The aim of the present study is to obtain accurate spectroscopic parameters of the S-deuterated methyl mercaptan CH3SD to facilitate astronomical observations by radio telescope arrays at (sub)millimeter wavelengths. We have measured the rotational spectrum associated with the large-amplitude internal rotation of the methyl group of methyl mercaptan using an isotopically enriched sample in the 150−510 GHz frequency range using the Köln millimeter wave spectrometer. The analysis of the spectra has been performed up to the second excited torsional state. We present modeling results of these data with the RAM36 program. CH3SD was searched for, but not detected, in data from the Atacama Large Millimeter/submillimeter Array (ALMA) Protostellar Interferometric Line Survey (PILS) of the deeply embedded protostar IRAS 16293−2422. The derived upper limit corresponds to a degree of deuteration of at most ∼18%.


2018 ◽  
Vol 20 (21) ◽  
pp. 14664-14670 ◽  
Author(s):  
Kateřina Luková ◽  
Radim Nesvadba ◽  
Tereza Uhlíková ◽  
Daniel A. Obenchain ◽  
Dennis Wachsmuth ◽  
...  

The tight combination of rotational spectroscopy and quantum-chemical calculations provides an insight into the molecular physics of the lowest energy conformer of 1,2,3,4-tetrahydroquinoline.


Author(s):  
Hao Wang ◽  
Xiujuan Wang ◽  
Xiao Tian ◽  
Wanying Cheng ◽  
Yang Zheng ◽  
...  

The rotational spectrum of the 1:1 benzaldehyde-CO2 complex has been investigated by pulsed-jet Fourier transform microwave spectroscopy complemented with quantum chemical calculations. Two isomers, both characterized by one C···O tetrel...


2019 ◽  
Vol 21 (28) ◽  
pp. 15656-15661 ◽  
Author(s):  
Yan Jin ◽  
Xiaolong Li ◽  
Qian Gou ◽  
Gang Feng ◽  
Jens-Uwe Grabow ◽  
...  

The rotational spectrum of the 2,2,4,4-tetrafluoro-1,3-dithietane⋯water complex has been investigated by high resolution rotational spectroscopy. Inversion of the water around its C2 axis is hindered by a barrier determined to be 87.4(2) cm−1.


2019 ◽  
Vol 627 ◽  
pp. A41 ◽  
Author(s):  
Olena Zakharenko ◽  
Frank Lewen ◽  
Vadim V. Ilyushin ◽  
Holger S. P. Müller ◽  
Stephan Schlemmer ◽  
...  

Methyl mercaptan (CH3SH) is an important sulfur-bearing species in the interstellar medium, terrestrial environment, and potentially in planetary atmospheres. The aim of the present study is to provide accurate spectroscopic parameters for the most abundant minor isotopolog CH334SH to support radio astronomical observations at millimeter and submillimeter wavelengths. The rotational spectrum of CH334SH, which is complicated by the large-amplitude internal rotation of the CH3 group versus the 34SH frame, was investigated in the 49−510 GHz and 1.1−1.5 THz frequency ranges in natural isotopic abundance. The analysis of the spectrum was performed up to the second excited torsional state, and the obtained data were modeled with the RAM36 program. A fit within experimental accuracy was obtained with a RAM Hamiltonian model that uses 72 parameters. Predictions based on this fit are used to search for CH334SH with the Atacama Large Millimeter/submillimeter Array (ALMA) toward the hot molecular core Sgr B2(N2), but blends with emission lines of other species prevent its firm identification in this source.


2020 ◽  
Vol 234 (7-9) ◽  
pp. 1383-1393 ◽  
Author(s):  
Kevin Gregor Lengsfeld ◽  
Philipp Buschmann ◽  
Pavel Kats ◽  
Dirk Siekmann ◽  
Sven Herbers ◽  
...  

AbstractHigh-resolution rotational spectroscopy was used to investigate the conformational landscape of methyl-3,3,3-trifluoropyruvate, a small, partially-fluorinated molecule, which is of interest because of its chemical properties and reactivity in contrast to the unfluorinated species. Methyl 3,3,3-trifluoropyruvate is also subject to two possible large amplitude motions of the methyl and trifluoromethyl group. However, only the methyl rotor gives rise to the tunneling splitting specific to individual conformers. In the rotational spectrum measured in the frequency region from 6 to 27 GHz, the identified conformers, s-cis and s-trans, were fitted to experimental accuracy, resulting in the accurate determination of the vibrational ground state rotational constants ${A}_{0}=2185.05827\left(36\right)\text{\hspace{0.17em}MHz}$, ${B}_{0}=1023.30031\left(17\right)\text{\hspace{0.17em}MHz}$, and ${C}_{0}=803.520287\left(95\right)\text{\hspace{0.17em}MHz}$ for the s-cis conformer, and ${A}_{0}=2706.9024\left(49\right)\text{\hspace{0.17em}MHz}$, ${B}_{0}=864.889539\left(81\right)\text{\hspace{0.17em}MHz}$, and ${C}_{0}=746.532896\left(71\right)\text{\hspace{0.17em}MHz}$ for the s-trans conformer. Additionally the barrier heights of the methyl rotor ${V}_{3}\left({\text{CH}}_{3}\right)=363.116\left(94\right){\text{\hspace{0.17em}cm}}^{-1}$ and ${V}_{3}\left({\text{CH}}_{3}\right)=389.290\left(80\right){\text{\hspace{0.17em}cm}}^{-1}$ were obtained for the s-cis and s-trans conformer, respectively.


Molecules ◽  
2021 ◽  
Vol 26 (22) ◽  
pp. 6870
Author(s):  
Adam Kraśnicki ◽  
Zbigniew Kisiel ◽  
Jean-Claude Guillemin

We report the observation and analysis of the rotational spectrum of a 1:1 cluster between 2-aminopyridine and water (AMW) carried out with supersonic expansion Fourier transform microwave spectroscopy at 4.7–16.5 GHz. Measurements of the 2-aminopyridine monomer (AMP) were also extended up to 333 GHz for the room-temperature rotational spectrum and to resolve hyperfine splitting resulting from the presence of two 14N quadrupolar nuclei. Supersonic expansion measurements for both AMP and AMW were also carried out for two synthesized isotopic species with single deuteration on the phenyl ring. Nuclear quadrupole hyperfine structure has also been resolved for AMW and the derived splitting constants were used as an aid in structural analysis. The structure of the AMW cluster was determined from the three sets of available rotational constants and the hydrogen bonding configuration is compared with those for clusters with water of similarly sized single-ring molecules. Experimental results aided by quantum chemistry computations allow the conclusion that the water molecule is unusually strongly bound by two hydrogen bonds, OH...N and O...HN, to the NCNH atomic chain of AMP with the potential to replace hydrogen bonds to the identical structural segment in cytosine and adenine in CT and AT nucleic acid base pairs.


1994 ◽  
Vol 72 (11-12) ◽  
pp. 967-970 ◽  
Author(s):  
M. Bogey ◽  
H. Bolvin ◽  
M. Cordonnier ◽  
C. Demuynck ◽  
J. L. Destombes ◽  
...  

The splitting of some rotational lines due to a predicted hydrogen atom migration in protonated acetylene, [Formula: see text], was not observed in the first pure rotational spectroscopy experiment in the vibrational ground state. An improvement of the spectral resolution of the spectrometer has allowed the observation of some of these small splittings. They have been interpreted within the semi-rigid bender model. Numerical results are presented for different values of the barrier height. Reasonable agreement between observed and calculated splittings is obtained with a barrier of about 1600 cm−1, which is 15% higher than the most recent ab initio value.


1996 ◽  
Vol 88 (3) ◽  
pp. 673-682 ◽  
Author(s):  
K. HINDS ◽  
A.C. LEGON ◽  
J.H. HOLLOWAY

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