out-of-plane bending coordinate

in molecular geometry

Given by

$Δ θ i − j k l = Δ z j r e i j sin ⁡ Φ k i l$

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

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Cite as:
IUPAC. Compendium of Chemical Terminology, 2nd ed. (the "Gold Book"). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. https://doi.org/10.1351/goldbook.

Last update: 2014-02-24; version: 2.3.3.

DOI of this term: https://doi.org/10.1351/goldbook.O04354.

Original PDF version: http://www.iupac.org/goldbook/O04354.pdf. The PDF version is out of date and is provided for reference purposes only. For some entries, the PDF version may be unavailable.

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