IUPAC - out-of-plane bending coordinate (O04354)

out-of-plane bending coordinate

in molecular geometry

https://doi.org/10.1351/goldbook.O04354

Given by

Δ θ_{i - j k l} = \frac{Δ z_{j}}{r_{e i j}} \sin Φ_{k i l}

where the numbering of the atoms is given in the diagram.

Φ_{k i l}

denotes

the angle between the bonds

i k

and

i l

Δ z_{j}

the perpendicular distance of the atom

j

from the instantaneous plane

i k l

and

r_{e i j}

the equilibrium length of the bond

i j

Source:
PAC, 1978, 50, 1707. (Definition and Symbolism of Molecular Force Constants) on page 1710 [Terms] [Paper]

Citation: 'out-of-plane bending coordinate' in IUPAC Compendium of Chemical Terminology, 5th ed. International Union of Pure and Applied Chemistry; 2025. Online version 5.0.0, 2025. https://doi.org/10.1351/goldbook.O04354 RIS BibTex EndNote

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Last revised: February 24, 2014

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out-of-plane bending coordinate