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    Mulliken Symbols For Irreducible Representations

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    Sandip Roy
    This document outlines the Mulliken symbol system for representing irreducible representations of point groups: 1. Symbols indicate the dimension, symmetry properties, and behavior under specific symmetry operations of the irreducible representation. 2. For non-linear molecules, symbols include subscripts to indicate symmetry with respect to inversion, horizontal planes of symmetry, and perpendicular rotation axes. 3. For linear molecules, symbols use Greek letters to represent the dimension and superscripts to denote symmetry under a vertical plane of symmetry.

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    Mulliken Symbols For Irreducible Representations

    Uploaded by

    Sandip Roy
    119 views2 pages
    This document outlines the Mulliken symbol system for representing irreducible representations of point groups: 1. Symbols indicate the dimension, symmetry properties, and behavior under specific symmetry operations of the irreducible representation. 2. For non-linear molecules, symbols include subscripts to indicate symmetry with respect to inversion, horizontal planes of symmetry, and perpendicular rotation axes. 3. For linear molecules, symbols use Greek letters to represent the dimension and superscripts to denote symmetry under a vertical plane of symmetry.

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    Group theory basic introduction

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    Mulliken Symbols for Irreducible Representations

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    This document outlines the Mulliken symbol system for representing irreducible representations of point groups: 1. Symbols indicate the dimension, symmetry properties, and behavior under specific symmetry operations of the irreducible representation. 2. For non-linear molecules, symbols include subscripts to indicate symmetry with respect to inversion, horizontal planes of symmetry, and perpendicular rotation axes. 3. For linear molecules, symbols use Greek letters to represent the dimension and superscripts to denote symmetry under a vertical plane of symmetry.

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    © All Rights Reserved
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    119 views2 pages

    Mulliken Symbols For Irreducible Representations

    Uploaded by

    Sandip Roy
    This document outlines the Mulliken symbol system for representing irreducible representations of point groups: 1. Symbols indicate the dimension, symmetry properties, and behavior under specific symmetry operations of the irreducible representation. 2. For non-linear molecules, symbols include subscripts to indicate symmetry with respect to inversion, horizontal planes of symmetry, and perpendicular rotation axes. 3. For linear molecules, symbols use Greek letters to represent the dimension and superscripts to denote symmetry under a vertical plane of symmetry.

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    Mulliken Symbols for Irreducible Representations

    Abbreviations: wrt = with respect to; PRA = principle rotation axis


    Symmetric means positive character (usually  = +1); antisymmetric means negative character (usually  = -1);

    For non-linear molecules


    1. Dimension of irreducible representation
    a. One-Dimensional A or B (see rule 4)
    b. Two-Dimensional E (from German “entartet” = degenerate
    c. Three-Dimensional T (use F in vibrational spectroscopy)
    d. Four Dimensional G
    e. Five Dimensional H

    2. Symmetry wrt inversion i


    a. Symmetric Subscript g from German “gerade” = even
    b. Antisymmetric Subscript u from German “ungerade” = odd

    3. Symmetry wrt horizontal h (use only if no i)


    a. Symmetric Superscript ‘ (prime)
    b. Antisymmetric Superscript “ (double prime)

    4. For 1D reps, symmetry wrt Cn1 symm. Operations of the PRA


    a. Symmetric A Use A if there is no PRA
    b. Antisymmetric B

    5. For 1D reps, symm wrt most important perpendicular C2 (or none, wrt v)
    a. Symmetric Subscript 1
    b. Antisymmetric Subscript 2

    6. For B reps, if there are three equally important perpendicular C2 axes


    a. Symmetric wrt 1st C2 Subscript 1
    b. Symmetric wrt 2nd C2 Subscript 2
    c. Symmetric wrt 3rd C2 Subscript 3

    7. For E reps, character of the Cn1 symm. operation of the PRA


    a. 2 cos (2/n) Subscript 1 (use only if characters are different)
    b. 2 cos (4/n) Subscript 2
    c. 2 cos (6/n) Subscript 3 (similarly for subscripts 4,5, etc.

    8. For T (or F) reps, character of C41 (or if none, character of S41 or C51
    a. Positive Subscript 1
    b. Negative Subscript 2

    For linear molecules


    1. Dimension of irreducible representation
    a. One-Dimensional Σ ≡ A
    b. Two-Dimensional Π, Δ, Φ ≡ E

    2. Symmetry wrt v
    a. Symmetric Superscript + (plus)
    b. Antisymmetric Superscript - (minus)
    Direct Product Rules for Mulliken Symbols

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