High-Accuracy Estimates for the Vinylidene-Acetylene Isomerization Energy and the Ground State Rotational Constants of :C═CH2

2013 ◽  
Vol 117 (46) ◽  
pp. 11679-11683 ◽  
Author(s):  
Hyunwoo Lee ◽  
Joshua H. Baraban ◽  
Robert W. Field ◽  
John F. Stanton
1959 ◽  
Vol 37 (2) ◽  
pp. 136-143 ◽  
Author(s):  
Nand Lal Singh

The fine structures of three of the β bands of PO which occur near 3200 Å have been analyzed. The analysis shows that the upper state of this band system is a 2Σ and not a 2Π state as previously believed. The rotational constants of both electronic states have been determined and it is found that the ground state constants, previously determined from the γ bands, are incorrect.


1985 ◽  
Vol 40 (9) ◽  
pp. 913-919
Author(s):  
Juan Carlos López ◽  
José L. Alonso

Abstract The rotational transitions of 3,4-dihydro-1,2-pyran in the ground state and six vibrationally excited states have been assigned. The rotational constants for the ground state (A = 5198.1847(24), B = 4747.8716(24) and C = 2710.9161(24) have been derived by fitting μa, μb and μc-type transitions. The dipole moment was determined from Stark displacement measurements to be 1.400(8) D with its principal axis components |μa| =1.240(2), |μb| = 0.588(10) and |μc| = 0.278(8) D. A model calculation to reproduce the ground state rotational constants indicates that the data are consistent with a twisted ring conformation. The average intensity ratio gives vibrational separations between the ground and excited states of the ring-bending and ring-twisting modes of ~ 178 and ~ 277 cm-1 respectively.


2021 ◽  
Vol 46 (20) ◽  
pp. 5207
Author(s):  
K. Miao ◽  
J. W. Zhang ◽  
X. L. Sun ◽  
S. G. Wang ◽  
A. M. Zhang ◽  
...  

1975 ◽  
Vol 53 (19) ◽  
pp. 1902-1926 ◽  
Author(s):  
Aldée Cabana ◽  
Michel Laurin ◽  
Walter J. Lafferty ◽  
Robert L. Sams

The infrared spectra of two B type bands, ν2 and 2ν1, of 14N16O2 have been recorded under high resolution. Ground state combination differences from these bands have been combined with combination differences obtained in previous studies and eight pure rotational microwave transitions to yield improved ground state rotational constants. Upper state constants and band centers for the ν2 and 2ν1 bands are also reported. The 2ν1 band contains internal intensity anomalies believed to arise from a weak Coriolis interaction with the much stronger ν1 + ν3 band. Equilibrium rotational constants have been calculated. The equilibrium structure of the molecule is: rc = 1.1945 ± 0.0005 Å and Θc = 133.85 ± 0.10°. For the sake of comparison, effective, substitution, and average structures are also reported.


1974 ◽  
Vol 29 (10) ◽  
pp. 1498-1500 ◽  
Author(s):  
W. Czieslik ◽  
L. Carpentier ◽  
D. H. Sutter

Abstract The microwave spectrum of Methylenecyclobutenone has been investigated in the vibrational ground state in the range of 8 to 26.5 GHz. From a least square fit of 12 lines with J ≦ 4 the rotational constants have been calculated as A =5.775664±0.000009 GHz, B = 4.312314 ± 0.000007 GHz, C = 2.467814±0.000008 GHz. The inertia defect Δ = - 0.09 amuÅ2 indicates that the molecule is planar. From Stark-effect measurements the components of the molecular electric dipole moment were obtaied as |μa| = 2.04 ± 0.02 D, |μb| = 2.70±0.03 D, |μtotal| = 3.39 ± 0.05 D.


2015 ◽  
Vol 40 (18) ◽  
pp. 4249 ◽  
Author(s):  
K. Miao ◽  
J. W. Zhang ◽  
X. L. Sun ◽  
S. G. Wang ◽  
A. M. Zhang ◽  
...  

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