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Electric field gradient and force constant in nitriles

Abstract:

The relationship between the principal component of the electric field gradient (eqN) and the stretching force constant (kCN) obtained by Salem for diatomic molecules is extended to polyatomic molecules with linear fragments of type RCN. It is found that for nitriles there is a linear correlation between kCN and eqN Values, as pbkp_redicted by theory, and that such correlation depends on the degree of conjugation between R and CN orbitals. © 1983.

Año de publicación:

1983

Keywords:

    Fuente:

    scopusscopus

    Tipo de documento:

    Article

    Estado:

    Acceso restringido

    Áreas de conocimiento:

    • Ciencia de materiales

    Áreas temáticas:

    • Electricidad y electrónica

    Contribuidores:

    Murgich J.Murgich J.
    Yosslen R. ArayYosslen R. Aray