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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.
PAC, 1978, 50, 1707 (Definition and symbolism of molecular force constants) on page 1710
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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: (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8.
Last update: 2014-02-24; version: 2.3.3.
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