C. Costain, J. M. Dowling
1960
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1
Influential Citations
298
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Journal
Journal of Chemical Physics
Abstract
The microwave spectra of ten isotopic species of formamide (H2N–CHO) have been investigated. Type a and type b transitions have been identified and measured for all ten species. The inertial defect is found to decrease whenever a heavier isotope is substituted for any atom in the NH2 group, and in fact is negative for four of the species studied. It is concluded that the molecule is nonplanar with the H2N–C group forming a shallow pyramid. The structural parameters deduced from the rotational constants are: r(N–H′, where H′ is trans to the aldehyde hydrogen) = 1.014±0.005 A, r(N–H″, where H″ is cis to the aldehyde hydrogen) = 1.002±0.005 A, r(N–C) = 1.376±0.010 A, r(C–H) = 1.102±0.010 A, r(C=O) = 1.193±0.020 A, ∠H′NH″ = 118°53′ ±40′, ∠H″NC = 120°37′±40′, ∠H′NC = 117°9′±40′, ∠NCO = 123°48′±40′, ∠NCH = 113°14′±40′ and ∠OCH = 122°58′±40′. The dihedral angles between the H′NC plane and the NCO plane, and between the H″NC plane and the NCH plane, are 7°±5°, and 12°±5°, respectively.In all the spectra investiga...