Microwave spectrum, dipole moment and ab initio molecular structure of 2-aminopropenenitrile (CH2C(NH2)CN)

1983 ◽  
Vol 97 (2) ◽  
pp. 135-140 ◽  
Author(s):  
A. Bauder ◽  
T.-K. Ha
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Ab Initio ◽  
Microwave Spectrum

The Molecular Structure, Dipole Moment, andgFactor of Ozone from Its Microwave Spectrum

1953 ◽  
Vol 21 (5) ◽  
pp. 851-855 ◽  
Author(s):  
R. Trambarulo ◽  
S. N. Ghosh ◽  
C. A. Burrus ◽  
W. Gordy
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Microwave Spectrum

ChemInform Abstract: Microwave Spectrum, Molecular Structure and Dipole Moment of Pivalaldehyde

ChemInform ◽  
2010 ◽  
Vol 22 (47) ◽  
pp. no-no
Author(s):  
A. P. COX ◽  
A. D. COUCH ◽  
K. W. II HILLIG ◽  
M. S. LABARGE ◽  
R. L. KUCZKOWSKI
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Microwave Spectrum

scholarly journals Microwave Spectrum, Dipole Moment, Planarity and Stability of syn-Oxalyl Fluoride. Ab Initio Computations of the anti--syn Equilibrium of Oxalyl Fluoride.

1995 ◽  
Vol 49 ◽  
pp. 172-181 ◽  
Author(s):  
K.-M. Marstokk ◽  
Harald Møllendal ◽  
Sture Nordholm ◽  
Per Halfdan Nielsen ◽  
Alf Claesson ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Microwave Spectrum ◽  
Ab Initio Computations

The microwave spectrum, molecular structure, and dipole moment of SiH3SiF3

1975 ◽  
Vol 55 (1-3) ◽  
pp. 88-93 ◽  
Author(s):  
John Pasinski ◽  
Steven A. McMahon ◽  
Robert A. Beaudet
Keyword(s):  
Molecular Structure ◽  
Dipole Moment ◽  
Microwave Spectrum

Bond order-bond length relationships in conjugated hydrocarbons - the microwave spectrum and structure of 3,4-dimethylenecyclobutene

1983 ◽  
Vol 36 (4) ◽  
pp. 639 ◽  
Author(s):  
RD Brown ◽  
PD Godfry ◽  
BT Hart ◽  
AL Ottrey ◽  
M Onda ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Bond Length ◽  
Bond Order ◽  
Microwave Spectrum ◽  
Basis Set ◽  
Molecular Orbital Calculations ◽  
Bond Orders ◽  
Bond Lengths ◽  
Typical Error

The microwave spectrum of the benzene isomer 3,4-dimethylenecyclobutene including spectra of all possible single 13C-substituted and sufficient singly and doubly D-substituted species to give a complete r5 geometry, have been measured and analysed. An estimate of the re geometry has also been derived. The additional precise CC bond lengths obtained for an unsubstituted, conjugated hydrocarbon enable us to examine bond order-bond length relationships more thoroughly than has previously been possible. The CC bond lengths exhibit a noticeably better correlation with SCFMO bond orders than with simple H�ckel bond orders. Further confirmatory measurements of the dipole moment of dimethylenecyclobutene have been made. Ab initio molecular orbital calculations using a 6-31G basis set give an optimized geometry with CC bond lengths within 2 pm of the r5 values. The computed dipole moment agrees almost exactly with experiment but a corresponding calculation on fulvene is discrepant with experiment by 0.16 D, which is probably a more typical error.

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