scholarly journals New Investigation of Millimeter-Wave Rotational Spectrum of CF3CN in the Excited Vibrational States v7=1 and v8=1

2007 ◽  
Vol 4 (1) ◽  
pp. 67-78
Author(s):  
Masoud Motamedi ◽  
Bahram Vahabzadeh Zargari
Keyword(s):  
Millimeter Wave ◽  
Rotational Spectrum ◽  
Vibrational States ◽  
Rotational Spectra

The millimeter-wave rotational spectra of the excited vibrational states v7=1 and v8=1 of the symmetric top molecule trifluoroacetonitrile, CF3CN, have been analyzed again. The ζ=±1 series have been assigned and the rotational parameters including B7=2944.9748(14) MHz, q+t=1.4505(16) MHz for v7=1 and B8=2950.4853(4) MHz, q+t= 3.6035(20) MHz for v8=1states were determined accurately.

scholarly journals New Investigation of Millimeter-Wave Rotational Spectrum of CCl3CN in Ground, v7= 1 and v8= 1 States

2008 ◽  
Vol 5 (4) ◽  
pp. 946-962
Author(s):  
Masoud Motamedi ◽  
Tahere Zohrevand
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Rotational Spectrum ◽  
Vibrational States ◽  
Rotational Spectra

The millimeter-wave rotational spectra of the ground and excited vibrational states v7=1 and v8=1 of the symmetric top molecule, CCl3CN, have been analyzed again. The B0= 1666.80894(13) MHz, DJ= 0.135023 (23) kHz, DJK= 0.60596 (45) kHz, HJ= -0.0192 (10) mHz, HJK= 1.188 (34) mHz and HKJ= -1.60 (21) mHz have been determined for ground state. The 𝓁 = ±1 series have been assigned and the rotational parameters including B7=1667.96659(25) MHz, (q+t)7=1.58855(94) MHz for v7=1 and B8=1667.08204 (31) MHz, (q+t)8= 1.6141(36) MHz for v8= 1 states were determined accurately.

Centrifugal Distortion Parameters of Fulminic Acid, HCNO, from the Millimeter-Wave Rotational Spectra

1971 ◽  
Vol 26 (1) ◽  
pp. 128-131 ◽  
Author(s):  
Manfred Winnewisser ◽  
Brenda P. Winnewisser
Keyword(s):  
Millimeter Wave ◽  
Ground State ◽  
Rotational Spectrum ◽  
Centrifugal Distortion ◽  
Vibrational States ◽  
Molecular Constants ◽  
Rotational Spectra ◽  
First Excited State ◽  
Bending Modes ◽  
Distortion Parameters

Abstract A newly designed millimeter-wave spectrometer has been employed for precise measurements of the millimeter-wave rotational spectrum of HCNO. Absorptions in several excited vibrational states as well as the ground state could be measured. The present paper presents the observed frequen­ cies and molecular constants obtained for the ground state and the first excited state of v4 and of v5, the vibrational bending modes

scholarly journals Study of Millimeter-Wave Rotational Spectra ofTrioxane in Ground, v(A), v1(E) = 1 and v2(E) = 1 States

2009 ◽  
Vol 6 (s1) ◽  
pp. S259-S279 ◽  
Author(s):  
Masoud Motamedi ◽  
Najmehalsadat Khademi
Keyword(s):  
Excited State ◽  
Excited States ◽  
Millimeter Wave ◽  
Ground State ◽  
Vibrational States ◽  
Rotational Spectra ◽  
First Time

The millimeter-wave rotational spectra of the ground and excited vibrational states v(A), v1(E) =1 and v2(E ) =1 of the oblate symmetric top molecule, (CH2O)3, have been analyzed again. The B0= 5273.25747MHz, DJ= 1.334547 kHz, DJk= -2.0206 kHz, HJ(-1.01 mHz), HJK(-3.80 mHz), and HKJ(4.1 mHz) have been determined for ground state. For non degenerate excited state, vA(1), the B = 5260.227723 MHz and DJand DJKwere determined 1.27171 kHz and -1.8789 kHz respectively. The 1=±1 series have been assigned in two different excited states v1(E) =1 and v2(E) =1.Most of the parameters were determined with higher accuracy compare with before. For the v2(E) =1 state the Cζ=-1940.54(11) MHz and qJ= 0.0753 (97) kHz were determined for the first time.

The Millimeter-Wave Rotational Spectrum of CCl3CN in Excited Vibrational States

1997 ◽  
Vol 183 (1) ◽  
pp. 168-175 ◽  
Author(s):  
Pil Ja Seo ◽  
John H. Carpenter ◽  
John G. Smith ◽  
Matthew J. Whitston ◽  
Gabriele Cazzoli ◽  
...  
Keyword(s):  
Millimeter Wave ◽  
Rotational Spectrum ◽  
Vibrational States

The Millimeter-Wave Rotational Spectrum of CF3CN in Excited Vibrational States

1996 ◽  
Vol 175 (1) ◽  
pp. 133-141 ◽  
Author(s):  
John H. Carpenter ◽  
Masoud Motamedi ◽  
John G. Smith
Keyword(s):  
Millimeter Wave ◽  
Rotational Spectrum ◽  
Vibrational States

Theoretical Study of Rotational Spectroscopy of Acetonitrile-d3in the Ground and Different Excited Vibrational States

2008 ◽  
Vol 5 (2) ◽  
pp. 201-218
Author(s):  
Motamedi Masoud ◽  
Moradi Parinaz
Keyword(s):  
Least Squares ◽  
Millimeter Wave ◽  
Theoretical Study ◽  
Rotational Spectroscopy ◽  
Accuracy Analysis ◽  
Centrifugal Distortion ◽  
Vibrational States ◽  
Rotational Spectra ◽  
Centrifugal Distortion Constants

The millimeter-wave rotational spectra of the ground and excited vibrational states v8= 1 and v8= 2 of the symmetric top molecule CD3CN have been analyzed again. Thel= ± 1 in v8=1,l= 0 andl= ± 2 series in v8= 2 states have been assigned respectively. The assignment and analysis of the measurements with a least – squares procedure have made it possible to obtain the rotational, quartic and sextic centrifugal distortion constants with more reliable and higher accuracy. Analysis of the v8= 2 state gave the following rotational parameters: Aζ = 62218.96 MHz and xll= 87527.70 MHz. Investigation in v8= 2 state indicates thatl-resonance is observed for this molecule aroundk=xℓℓ+(A−B)−2AζAζ−(A−B)≈4.

scholarly journals Millimeter-Wave Rotational Spectrum, Barrier to Internal Rotation, and DFT Calculation of o-Tolunitrile

2011 ◽  
Vol 2011 ◽  
pp. 1-8 ◽  
Author(s):  
A. I. Jaman ◽  
P. Hemant Kumar ◽  
P. R. Bangal
Keyword(s):  
Internal Rotation ◽  
Millimeter Wave ◽  
Dft Calculation ◽  
Rotational Spectrum ◽  
Frequency Range ◽  
Rotational Spectra ◽  
Calculation Results ◽  
Rotation Parameters ◽  
Experimental Values

The millimeter-wave rotational spectra of o-tolunitrile (C6H4CH3CN) have been investigated in the ground torsional state in the frequency range 50.0–75.0 GHz. Many high-J rotational lines with large A-E splitting due to internal rotation of the methyl top have been assigned. A least squares analysis of the A-E splitting of 92 transitions resulted in the determination of accurate values of internal rotation parameters. The observed parameters were compared with the previously reported experimental values and DFT calculation results.

scholarly journals The millimeter-wave spectrum and astronomical search of succinonitrile and its vibrational excited states

2019 ◽  
Vol 629 ◽  
pp. A35 ◽  
Author(s):  
C. Cabezas ◽  
C. Bermúdez ◽  
J. D. Gallego ◽  
B. Tercero ◽  
J. M. Hernández ◽  
...  
Keyword(s):  
Excited States ◽  
Millimeter Wave ◽  
Dipole Moments ◽  
Saturated Hydrocarbon ◽  
Wave Spectrum ◽  
Rotational Spectrum ◽  
Rotational Spectra ◽  
Quantum Numbers ◽  
Centrifugal Distortion Constants ◽  
High Level

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.

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