Molecular structure of nitrobenzene in the planar and orthogonal conformations - A concerted study by electron diffraction, X-ray crystallography, and molecular orbital calculations

Structural Chemistry

Volumn 1, Issue 1, 1990, Pages 107-122

  Domenicano, Aldo ^a,b   Schultz, György ^c   Hargittai, István ^c   Colapietro, Marcello ^d   Portalone, Gustavo ^d   George, Philip ^e   Bock, Charles W ^f  

^a UNIVERSITY OF L'AQUILA   (Italy)

^b CNR   (Italy)

^c EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^d SAPIENZA UNIVERSITY OF ROME   (Italy)

^e UNIVERSITY OF PENNSYLVANIA   (United States)

^f THOMAS JEFFERSON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000159070     PISSN: 10400400     EISSN: 15729001     Source Type: Journal    
DOI: 10.1007/BF00675790     Document Type: Article

References (59)

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3. Molecular geometry of substituted benzene derivatives. III. On the structural effects of conjugation
4. Molecular geometry of substituted benzene derivatives. IV. Analysis of variance in monosubstituted benzene rings
5. Effect of Intermolecular Hydrogen Bonding on the Molecular and Electronic Stucture of Hydroxybenzenes.
6. Structural studies of benzene derivatives. VII. Refinement of the crystal structure of p-dinitrobenzene
7. Prediction of Molecular Geometries of Aromatic Six-membered Rings.
8. The distortion of the ring in monosubstituted benzene derivatives: A molecular orbital study
9. Procedure and Computer Programs for the Structure Determination of Gaseous Molecules from Electron Diffraction Data.
10. Crystal structure of 3,5-dimethyl-4-nitrobenzoic acid
11. Structural studies of benzene derivatives. II. Refinement of the crystal structure of p-nitrobenzoic acid
12. The crystal structure of m-nitrobenzoic acid
13. The crystal structure of terephthalic acid
14. X-ray scattering factors computed from numerical Hartree–Fock wave functions
15. HFS atomic scattering factors
16. The effect of including polarization functions on the geometrical parameters calculated for benzene, fluorobenzene and cyanobenzene
17. Molecular structure and ring distortions of p-dichlorobenzene as determined by electron diffraction
18. On the rigid-body motion of molecules in crystals
19. A new interpretation of dipole moments of aliphatic and aromatic nitro compounds
20. Abinitio Calculations of the Barriers to Rotation in Some Monosubstituted Benzenes