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  • Point Group Flow Chart

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    docaun
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    This document provides a flow chart for determining the molecular geometry and point group of a molecule. The flow chart begins by asking if the molecule is linear, then proceeds to ask a series of yes or no questions about rotational axes, inversion centers, and mirror planes to systematically determine the appropriate point group. Key questions include whether the molecule has a Cn rotation axis, an inversion center, or perpendicular or containing mirror planes. Following the decision tree allows narrowing down the possible point groups.

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    This document provides a flow chart for determining the molecular geometry and point group of a molecule. The flow chart begins by asking if the molecule is linear, then proceeds to ask a series of yes or no questions about rotational axes, inversion centers, and mirror planes to systematically determine the appropriate point group. Key questions include whether the molecule has a Cn rotation axis, an inversion center, or perpendicular or containing mirror planes. Following the decision tree allows narrowing down the possible point groups.

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    Attribution Non-Commercial (BY-NC)
    Скачайте в формате PPT, PDF, TXT или читайте онлайн в Scribd
    Отметить как неприемлемый контент
    415 просмотров2 страницы

    Point Group Flow Chart

    Загружено:

    docaun
    This document provides a flow chart for determining the molecular geometry and point group of a molecule. The flow chart begins by asking if the molecule is linear, then proceeds to ask a series of yes or no questions about rotational axes, inversion centers, and mirror planes to systematically determine the appropriate point group. Key questions include whether the molecule has a Cn rotation axis, an inversion center, or perpendicular or containing mirror planes. Following the decision tree allows narrowing down the possible point groups.

    Авторское право:

    Attribution Non-Commercial (BY-NC)
    Скачайте в формате PPT, PDF, TXT или читайте онлайн в Scribd
    Отметить как неприемлемый контент
    из 2

    Determine the molecular geometry

    Is it linear?

    Determination of Point Group Flow Chart

    yes
    Does it have an inversion center (i)?

    no
    Is it highly symmetrical? (Is there more than one Cn where n > 2?)

    Does it have an inversion center (i)? Dh Cv Contains a C5 ? Td

    Does it have a rotation axis, Cn?

    Ih

    Oh

    Find the principal rotation axis. (The Cn with the highest value for n). Does it have n C2 to the principal Cn axis?

    Does it have a mirror plane, s?

    Cs sh? sh?

    Does it have an inversion center (i)?

    sh = mirror plane perpendicular (i.e. horizontal) to principal axis

    Dnh

    n sd?

    Cnh

    n sv?

    Ci

    C1

    Cnv Dnd Dn

    S2n?

    sd or sv = mirror plane that contains the principal axis

    S2n

    Cn

    Determine the molecular geometry

    Is it linear?

    Determination of Point Group Flow Chart

    yes
    Does it have an inversion center (i)?

    no
    Is it highly symmetrical? (Is there more than one Cn where n > 2?)

    yes

    no
    Does it have an inversion center (i)?

    yes

    no

    Does it have a rotation axis, Cn?

    Dh

    Cv

    yes
    Contains a C5 ?

    no
    Td

    yes

    no

    yes
    Ih

    no
    Oh Find the principal rotation axis. (The Cn with the highest value for n). Does it have n C2 to the principal Cn axis? Does it have a mirror plane, s?

    yes yes
    sh?

    no
    Does it have an inversion center (i)?

    no
    sh?

    Cs

    yes
    sh = mirror plane perpendicular (i.e. horizontal) to principal axis Dnh

    no
    n sd?

    yes
    Cnh

    no
    n sv?

    yes
    Ci

    no
    C1

    yes
    Dnd

    no
    Dn

    yes
    Cnv

    no
    S2n?

    yes
    S2n

    no
    Cn

    sd or sv = mirror plane that contains the principal axis

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