Rotational Spectra of Phosphorus Monosulfide up to 1 THz

1999 ◽  
Vol 54 (2) ◽  
pp. 137-145
Author(s):  
H. Klein ◽  
E. Klisch ◽  
G. Winnewisser

Abstract The submillimeter-wave rotational spectrum of the PS radical in the electronic and vibrational ground state (X2 ΠI/2 , X2Π3/2) was recorded with the Cologne terahertz spectrometer in the fre-quency region between 540 GHz and 1.07 THz, covering rotational quantum numbers from J = 30.5 to 60.5. The PS radical has been produced by discharging PSCl3 buffered with Ar. For all transitions the Λ-doubling was resolved for both the 2ΠI/2 and 2Π3/2 states. For some transitions with ΔF = 0 the hyperfine structure (hfs) caused by the P-atom could partially be resolved even for rather high J values. Analysis of the complete rotational data set of PS allows the derivation of a full set of molecular parameters, including the rotational constants B, D, H, the fine-structure constants A,γ , Dγ , the parameters for the Λ-doubling p, Dp , q, and the magnetic hyperfine constants a, b, c, d, CI. All parameters have been determined, whereby a, c, and the nuclear spin rotation-constant CI were obtained for the first time.

1999 ◽  
Vol 54 (3-4) ◽  
pp. 187-190 ◽  
Author(s):  
H. Klein ◽  
E. Klisch ◽  
G. Winnewisser ◽  
A. Königshofen ◽  
J. Hahn

The submillimeter-wave rotational spectrum of the CP radical in the electronic and vibrational ground state (X2Σ+) was recorded in the frequency region between 572 GHz and 1.05 THz, covering rotational quantum numbers from N = 11 up to 21. The CP radical has been produced by discharging CH4 over red phosphorus buffered with Ar at liquid nitrogen temperature. Analysis of the new rotational data of CP together with those available in the literature allows the derivation of an accurate set of molecular constants, including rotational, B0 = 23859.91521(28) MHz and the centrifugal distortion constant D0 = 39.8140(19) kHz, the fine structure and hyperfine structure parameters. The stiffness of the CP bond can be inferred by requiring only one distortion constant D0 to fit the measured rotational spectrum.


1994 ◽  
Vol 72 (11-12) ◽  
pp. 1315-1321 ◽  
Author(s):  
W. Etzenbach ◽  
A. H. Saleck ◽  
M. Liedtke ◽  
G. Winnewisser

The rQ3 branch of HSSD with its band head located in the submillimetre-wave region at about 656.5 GHz has been measured up to J = 28 for the ground and for the first excited stretching state. Commencing with medium J quantum numbers (J > 11) the inertial asymmetry splitting is observed, whereas for J > 27 each K-split line separates further into equally strong b- and c-type transitions. For the first time it has been possible to assign Q-branch rotational lines of HSSD to an excited vibrational state, the first excited stretching state νs = 1, which yield differences in the rotational constants: (i) A – B = 93 731.204 (71) MHz and (ii) B – C = 149.69 (14) MHz. The rotational spectra have been recorded with a newly designed wave-guide multiplier, optimized for providing local oscillator power at 660 GHz for astrophysical applications when pumped at 220 GHz. The input radiation was provided by a carcinotron (backward wave oscillator).


1989 ◽  
Vol 44 (8) ◽  
pp. 718-722 ◽  
Author(s):  
P. Mittler ◽  
G. Winnewisser ◽  
K. M. T. Yamada

Abstract The rotational spectrum of 34S-substituted disulfane, HS34SH, has been measured between 60 and 420 GHz, yielding for the first time the rotational constants A = 146694.949 MHz, B = 6779.018 MHz and C = 6776.339 MHz, together with a complete set of J4 and J6 distortion constants.


2020 ◽  
Vol 642 ◽  
pp. A206 ◽  
Author(s):  
L. Margulès ◽  
B. A. McGuire ◽  
C. J. Evans ◽  
R. A. Motiyenko ◽  
A. Remijan ◽  
...  

Context. The majority of sulfur-containing molecules detected in the interstellar medium (ISM) are analogs of oxygen-containing compounds. Propynal was detected in the ISM in 1988, hence propynethial, its sulfur derivative, is a good target for an ISM search. Aims. Our aim is to measure the rotational spectrum of propynethial and use those measurements to search for this species in the ISM. To date, measurements of the rotational spectra of propynethial have been limited to a small number or transitions below 52 GHz. The extrapolation of the prediction to lines in the milimeter-wave domain is inaccurate and does not provide data to permit an unambiguous detection. Methods. The rotational spectrum was re-investigated up to 630 GHz. Using the new prediction lines of propynethial, as well as the related propynal, a variety of astronomical sources were searched, including star-forming regions and dark clouds. Conclusions. A total of 3288 transitions were newly assigned and fit together with those from previous studies, reaching quantum numbers up to J = 107 and Ka = 24. Watson’s symmetric top Hamiltonian in the Ir representation was used for the analysis, because the molecule is very close to the prolate limit. The search for propynethial resulted in a non-detection; upper limits to the column density were derived in each source.


2000 ◽  
Vol 55 (5) ◽  
pp. 491-494 ◽  
Author(s):  
Holger S. P. Müller ◽  
Sven Thorwirth ◽  
Luca Bizzocchi ◽  
Gisbert Winnewisser

Abstract The ground state rotational spectrum of propyne has been studied in selected regions between 509 and 820 GHz spanning the quantum numbers 29


2019 ◽  
Vol 621 ◽  
pp. A111 ◽  
Author(s):  
J. Chantzos ◽  
S. Spezzano ◽  
C. Endres ◽  
L. Bizzocchi ◽  
V. Lattanzi ◽  
...  

Context. The ketenyl radical HCCO has recently been detected in the interstellar medium (ISM) for the first time. Further astronomical detections of HCCO will help us understand its gas-grain chemistry, and subsequently revise the oxygen-bearing chemistry towards dark clouds. Moreover, its deuterated counterpart DCCO has never been observed in the ISM. A broad spectroscopic investigation is still lacking for both HCCO and DCCO, although they exhibit a significant astrophysical relevance. Aims. In this work we aim to measure the pure rotational spectra of the ground state of HCCO and DCCO in the millimeter and submillimeter region, considerably extending the frequency range covered by previous studies. Methods. The spectral acquisition was performed using a frequency-modulation absorption spectrometer between 170 and 650 GHz. The radicals were produced in a low-density plasma generated from a select mixture of gaseous precursors. We were able to detect and assign more than 100 rotational lines for each isotopolog. Results. The new lines have significantly enhanced the previous data set allowing the determination of highly precise rotational and centrifugal distortion parameters. In our analysis we took into account the interaction between the ground electronic state and a low-lying excited state (Renner–Teller pair) which enables the prediction and assignment of rotational transitions with Ka up to 4. Conclusions. The present set of spectroscopic parameters provides highly accurate, millimeter, and submillimeter rest-frequencies of HCCO and DCCO for future astronomical observations. We also show that towards the pre-stellar core L1544, ketenyl peaks in the region where c-C3H2 peaks, suggesting that HCCO follows a predominant hydrocarbon chemistry, as already proposed by recent gas-grain chemical models.


2002 ◽  
Vol 57 (8) ◽  
pp. 663-668 ◽  
Author(s):  
M. Caris ◽  
F. Lewen ◽  
G. Winnewisser

The pure rotational spectra of both isotopomers of NaCl, i. e. 23Na35Cl and 23Na37Cl, have been recorded in high resolution with the Cologne terahertz spectrometer. A total of 189 new rotational lines have been measured in the frequency region between 200 and 930 GHz. Twenty nine of these transitions are assigned for Na35Cl to the vibrational ground state with J < 72, and 102 lines arise from vibrationally excited states up to the 5th vibrational state: ν = 5̅. For Na37Cl a total of 58 rotational lines with J ≤ 76 and ν ≤ 4 could be detected. The newly measured lines were fitted together with the published microwave and millimeter-wave transitions to obtain a refined and extended set of molecular parameters: Na35Cl: B0 = 6513.04908(41) MHz, D0 = 9.338978(141) kHz, H0 = -1.0433(144) mHz and Na37Cl: B0 = 6373.74158(66) MHz, D0 = 8.943327(185) kHz, H0 = -0.9623(162) mHz.From the experimental data the equilibrium constants Be, α, γ, De, β, δ, He and ε are calculated as well. The refined parameters for both isotopomers allow precise frequency predictions to be made far into the terahertz region. Thus this new and highly precise data set for NaCl is intended to support future astrophysical observations.


2018 ◽  
Vol 610 ◽  
pp. A44 ◽  
Author(s):  
L. Margulès ◽  
B. Tercero ◽  
J. C. Guillemin ◽  
R. A. Motiyenko ◽  
J. Cernicharo

Context. About 40 cyanide compounds have been detected in the interstellar medium, but only 3 examples of organic isocyanide compounds were observed in this medium. Ethyl isocyanide is one of the best candidates for possible detection. Aim. To date, measurements of rotational spectra are limited to 40 GHz. The extrapolation of the prediction in the millimeter wave domain is inaccurate and does not permit an unambiguous detection. Methods. The rotational spectra were reinvestigated from 0.15 to 1 THz. Using the new prediction, we searched for the compound ethyl isocyanide in Orion KL and Sgr B2. Results. We newly assigned 2906 transitions and fitted these new data with those from previous studies, reaching quantum numbers up to J = 103 and Ka = 30. The asymmetric top Hamiltonian proposed by Watson in the Ir representation was used for the analysis, and both reductions A and S were tested. The search for CH3CH2NC in Sgr B2 (IRAM 30m) and Orion KL (IRAM 30m, ALMA Science Verification) result in a non-detection; upper limits to the column density were derived.


2019 ◽  
Vol 629 ◽  
pp. A35 ◽  
Author(s):  
C. Cabezas ◽  
C. Bermúdez ◽  
J. D. Gallego ◽  
B. Tercero ◽  
J. M. Hernández ◽  
...  

Context. Dinitriles with a saturated hydrocarbon skeleton and a −C≡N group at each end can have large electric dipole moments. Their formation can be related to highly reactive radicals such as CH2CN, C2N, or CN. Thus, these saturated dinitriles are potential candidates to be observed in the interstellar medium (ISM). Aims. Our goal is the investigation of the rotational spectrum of one of the simplest dinitriles N≡C−CH2−CH2−C≡N, succinonitrile, whose actual rotational parameters are not precise enough to allow its detection in the ISM. In addition, the rotational spectra for its vibrational excited states will be analysed. Methods. The rotational spectra of succinonitrile was measured in the frequency range 72−116.5 GHz using a new broadband millimeter-wave spectrometer based on radio astronomy receivers with Fast Fourier Transform backends. The identification of the vibrational excited states of succinonitrile was supported by high-level ab initio calculations on the harmonic and anharmonic force fields. Results. A total of 459 rotational transitions with maximum values of J and Ka quantum numbers 70 and 14, respectively, were measured for the ground vibrational state of succinonitrile. The analysis allowed us to accurately determine the rotational, quartic, and sextic centrifugal distortion constants. Up to eleven vibrational excited states, resulting from the four lowest frequency vibrational modes ν13, ν12, ν24, and ν23 were identified. In addition to the four fundamental modes, we observed overtones together with some combination states. The rotational parameters for the ground state were employed to unsuccessfully search for succinonitrile in the cold and warm molecular clouds Orion KL, Sgr B2(N), B1-b, and TMC-1, using the spectral surveys captured by IRAM 30 m at 3 mm and the Yebes 40 m at 1.3 cm and 7 mm.


2021 ◽  
pp. 1-11
Author(s):  
Velichka Traneva ◽  
Stoyan Tranev

Analysis of variance (ANOVA) is an important method in data analysis, which was developed by Fisher. There are situations when there is impreciseness in data In order to analyze such data, the aim of this paper is to introduce for the first time an intuitionistic fuzzy two-factor ANOVA (2-D IFANOVA) without replication as an extension of the classical ANOVA and the one-way IFANOVA for a case where the data are intuitionistic fuzzy rather than real numbers. The proposed approach employs the apparatus of intuitionistic fuzzy sets (IFSs) and index matrices (IMs). The paper also analyzes a unique set of data on daily ticket sales for a year in a multiplex of Cinema City Bulgaria, part of Cineworld PLC Group, applying the two-factor ANOVA and the proposed 2-D IFANOVA to study the influence of “ season ” and “ ticket price ” factors. A comparative analysis of the results, obtained after the application of ANOVA and 2-D IFANOVA over the real data set, is also presented.


Sign in / Sign up

Export Citation Format

Share Document