The millimeter-wave rotational spectrum of CF3CN in the excited vibrational state v8=2

Zohrevand

2008

Self Cite

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.

Section: = 1statesmentioning

confidence: 99%

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

Zohrevand

2008

Self Cite

“…In order to obtain more accuracy in rotational energies for singly excited vibrational states than can be obtained from perturbation theory, it is necessary to set up a rotational Hamiltonian as a matrix (H) in equation Hψ=Eψ and diagonalise to obtain the energy [14][15][16][17][18][19][20][21][22] . The Hamiltonian was set up for a symmetric top molecule like PF 3 .…”

Section: Spectrum In the State V 4 =mentioning

confidence: 99%

Study of Millimeter‐Wave Rotational Spectra of Phosphorus Trifluoride in Ground,v₂ = 1 and v₄ = 1 States

Zohrevand

2008

Self Cite

The millimeter-wave rotational spectra of the ground and excited vibrational states v2=1 and v4=1 of the symmetric top molecule, PF3, have been analyzed again. The B0= 7819.9907(13) MHz, DJ= 7.84984(41) kHz, DJk= -11.7644 (11) kHz, HJ= 15.678 (36) mHz, HJk= -66.46 (12) mHz and HkJ= 87.42 (15) mHz have been determined for ground state. The 1=±1 series have been assigned and the rotational parameters including B4=7823.09212(41) MHz, (q+t)4= -29.49200(65) MHz, rt=2.9465 (13) MHz and (Cζ)4= -3010.94684(41) MHz for v4=1 state were determined accurately

“…, where n is an integer, may be shown to have A 1 or A 2 symmetry whilst all others are of E symmetry [7][8][9][10][11] . The selection rules are such that for transitions due to the µ z component of the dipole then ∆J=±1 and A 1 ↔A 2 and E↔E.…”

Section: Freq / Mhzmentioning

confidence: 99%

Theoretical Study of Rotational Spectroscopy of Acetonitrile‐d₃ in the Ground and Different Excited Vibrational States

Parinaz

2007

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.