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Determine the number (and relative intensity) of IR-active C–O stretching vibrations for fac-[Mo(CO)3(NCMe)3]:

Physical Chemistry

2nd Edition

ISBN:9781133958437

Author:Ball, David W. (david Warren), BAER, Tomas

Publisher:Ball, David W. (david Warren), BAER, Tomas

Chapter13: Introduction To Symmetry In Quantum Mechanics

Section: Chapter Questions

Problem 13.29E: Determine the point groups of the following molecules. a Fe(CO)5, which has a trigonal bipyramidal...

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Determine the number (and relative intensity) of IR-active C–O stretching vibrations for fac-[Mo(CO)3(NCMe)3]:

Proceed as follows...

Determine the point group of the molecule. Do not descend in symmetry.

Construct a reducible representation for the CO vibrations (ΓCO) -- [please explain how to determine the number of unshifted atoms]

Decompose ΓCO into its irreducible representation ΓCO,i.r.

Determine which are IR active (number of IR active modes)

Double degenerate modes (i.r. with E symmetry) are ≈ twice as intense as other modes, and

triply degenerate modes (i.r. with T symmetry) are ≈ three times as intense.

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