Molecular structure and conformation of nitrobenzene reinvestigated by combined analysis of gas-phase electron diffraction, rotational constants, and theoretical calculations

@article{Dorofeeva2007MolecularSA,
  title={Molecular structure and conformation of nitrobenzene reinvestigated by combined analysis of gas-phase electron diffraction, rotational constants, and theoretical calculations},
  author={O. Dorofeeva and Y. Vishnevskiy and N. Vogt and J. Vogt and L. V. Khristenko and S. V. Krasnoshchekov and I. Shishkov and I. Hargittai and L. V. Vilkov},
  journal={Structural Chemistry},
  year={2007},
  volume={18},
  pages={739-753}
}
  • O. Dorofeeva, Y. Vishnevskiy, +6 authors L. V. Vilkov
  • Published 2007
  • Chemistry
  • Structural Chemistry
  • The molecular structure and conformation of nitrobenzene has been reinvestigated by gas-phase electron diffraction (GED), combined analysis of GED and microwave (MW) spectroscopic data, and quantum chemical calculations. The equilibrium re structure of nitrobenzene was determined by a joint analysis of the GED data and rotational constants taken from the literature. The necessary anharmonic vibrational corrections to the internuclear distances (re − ra) and to rotational constants (Be(i) − B0(i… CONTINUE READING
    16 Citations

    Figures and Tables from this paper

    References

    SHOWING 1-10 OF 28 REFERENCES