mcneil assignment 5

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  • 7/24/2019 Mcneil Assignment 5

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    1a)

    HF is a heteronuclear atom which exhibits a polar covalent bond. The orbitals no

    longer have equal density on each atom.

    i) either bonding, non-bonding, or antibondingii) either Hlocalied, primarily H-character, primarily F-character, or F-

    localied.To arrive at your answers, consider the nature and relative energies o! the

    atomic orbitals that overlap to !orm each molecular orbital.

    a)

    1" # i) non $onding. ii) %rimarily F&s in character. HF is a heteronuclear atom which

    exhibits a polar covalent bond. The orbitals no longer have equal density on each

    atom. The high 'uorine localiation o! this orbital is a consequence o! the high

    electronegativity o! 'uorine.

    &" # i) $onding ii) F-localied. Has both H1s and F&p character. HF is a

    heteronuclear atom which exhibits a polar covalent bond. The orbitals no longerhave equal density on each atom. The high 'uorine localiation o! this orbital is a

    consequence o! the high electronegativity o! 'uorine. There is (s * # p *+ overlap

    in this molecular orbital.

    1 # i) nonbonding ii) %rimarily F-character - Fluorine &p in character. These orbitals

    exist in the 'uorine atom. They analogous to &p 'uorine *+s. They are not involved

    in bonding. They aren+t involved in anti-bonding either. They are non-bonding.

  • 7/24/2019 Mcneil Assignment 5

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    Fluorine &p &p/ . 0un perpendicular to H-F axis (+. 2o not overlap 3-orbital. 2o

    not participate in anti-bonding with it either. There!ore nonbonding.

    4" # i) anti-bonding ii) H-localied. The H13 * has relatively high energy when

    compared to the 'uorine orbitals. There!ore, the hydrogen+s 13 orbital contributes

    predominantly to the high-energy antibonding 5*.

    b)

    1" and &" 5*+s are F-localied due to the electronegativity o! F in the 5*

    orbital

    1 - is non-bonding but is !luorine &p in character. There!ore, e-

    occupying this 5* will inhabit the & p-orbitals o! 'uorine.

    4" # ntibonding, unoccupied, 675*. %rimarily H 1s * orbital

    characteristic. 3ince unoccupied no e8ect on molecular polarity. nti-bonding 5* - would destable molecule i! occupied.

    494 occupied 5*+s have the ma:ority o! charge based on the 'uorine. ny

    given molecule has characteristics o! an average o! the sum o! it+s 5*+s.

    There!ore, the entire H-F molecule is polar because 494 occupied 5*+s

    exhibit electron density on the 'uorine.

    c) Fluorine &p &p/ . 0un perpendicular to H-F axis (+. 2o not overlap

    3-orbital. 2o not anti-overlap it either. There!ore nonbonding.

    d) 5* description completely agrees. Has 1 bonding pair localied to the

    electronegative 'uorine and 4 electron pairs based on the 'uorine which

    do not participate in bonding.& e- enter the & " orbital, !orming a bond between H F atoms. %olar

    bond is localied on F atom.& e- enter into the 1 " orbital which is largely non-bonding and con!ined to

    F atom.; e- enter the 1-pi orbital which are non-bonding and con%0 do however agree in that the number o! bonding and F-localied

    nonbonding pairs are numerically equivalent.

    &)

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    a) ?arbon has ; valence e-. The photoelectron spectrum o! methane

    shows a pea@ at 14e= and a pea@ approximately A194) o! the sie at &4 e=.

    =3>%0 assumes all valenec bonds are equal in energy. This is not the case

    in this photoelectron spectrum. 4 valence bonds o! carbon lie in one

    energy level and one lies in an energy level in which more energy is

    needed to brea@ the bond. This is to say that, in methane, 4 pairs o!

    bonding e- occupy 4 degenerate orbitals and one pair o! bonding electrons

    occupies a bonding s-orbital which is harder to extract

    ?arbon has !our valence electrons. *ne in a &s orbital and 4 in &p orbitals.