The heights of the rotational barn-ers of the diselenide bridge in dimethyl diselenide have been calculated at the Hartree-Fock level with the 3-21G basis set. The minimum in the rotational potential energy function occurs at a torsional angle of 85.64". The bam'ers were determined by complete geome
Free-Jet Rotational Spectrum and ab Initio Calculations of Formanilide
β Scribed by Paolo Ottaviani; Sonia Melandri; Assimo Maris; Paolo G. Favero; Walther Caminati
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 100 KB
- Volume
- 205
- Category
- Article
- ISSN
- 0022-2852
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β¦ Synopsis
Formanilide has been investigated by free-jet millimeter-wave absorption spectroscopy. The rotational spectrum of the conformer with the formyl hydrogen anti to the phenyl group has been assigned. Several rotational transitions of the ground state have been measured for both normal and ND isotopic species. All the atoms of the peptidic group are coplanar to the ring.
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The heights of the rotational barriers of the ditelluride bridge in H 2 Te 2 and (CH 3 ) 2 Te 2 have been calculated at the Hartree-Fock level with the 3-21G basis set. The minima in the rotational potential energy functions occur at torsional angles of 87.58Π and 89.32Π, respectively. The barriers
The theoretical part of the research, performed in Budapest, Hungary, was partially supported by grants from the Scientific Research Foundation of Hungary (OTKA 2101 and FO13962). G.W. and J.D. thank the A.T.P. "PlanΓ©tologie" (CNRS) for financial support.