09-107​ ​Honors​ ​Chemistry

Carnegie​ ​Mellon​ ​University

Homework​ ​2:​ ​Atomic​ ​Structure

Please​ ​put​ ​your​ ​answers​ ​and​ ​explanations​ ​into​ ​this​ ​document​ ​and​ ​upload​ ​to​ ​Canvas.

Name_________________________________

Experimental​ ​results​ ​from​ ​PES​ ​spectra​ ​of​ ​atoms​ ​are​ ​summarized​ ​in​ ​the​ ​following​ ​simulation:
http://www.chem.arizona.edu/chemt/Flash/photoelectron.html
The​ ​simulation​ ​has​ ​both​ ​mono​ ​(see​ ​results​ ​for​ ​one​ ​atom)​ ​and​ ​dual​ ​(see​ ​results​ ​for​ ​two​ ​atoms,​ ​side
by​ ​side)​ ​modes.​ ​The​ ​units​ ​along​ ​the​ ​x​ ​axis​ ​are​ ​MegaJoules(MJ)/mol​ ​(The​ ​Rhydberg​ ​constant,
which​ ​appears​ ​in​ ​the​ ​Bohr​ ​model​ ​of​ ​the​ ​atom,​ ​is​ ​1.313​ ​MJ/mol)​ ​.

Use​ ​this​ ​simulation​ ​to​ ​address​ ​the​ ​following​ ​questions.​ ​Note​ ​that​ ​many​ ​of​ ​the​ ​questions​ ​require
the​ ​same​ ​formula​ ​to​ ​be​ ​applied​ ​to​ ​a​ ​group​ ​of​ ​data.​ ​Excel,​ ​or​ ​another​ ​spreadsheet​ ​program​ ​such​ ​as
google​ ​sheets​ ​(https://www.google.com/sheets/about/),​ ​make​ ​such​ ​repetitive​ ​calculations​ ​easy​ ​to
do.

Note​ ​that​ ​the​ ​grades​ ​will​ ​be​ ​based​ ​on​ ​both​ ​the​ ​correctness​ ​of​ ​the​ ​response​ ​and​ ​the​ ​quality​ ​of
explanations.

1)​ ​(1​ ​pt)​ ​Are​ ​the​ ​results​ ​in​ ​the​ ​PES​ ​spectra​ ​consistent​ ​with​ ​the​ ​rules​ ​discussed​ ​in​ ​class​ ​regarding
the​ ​periodic​ ​trend​ ​of​ ​the​ ​first​ ​ionization​ ​potential?​ ​Be​ ​sure​ ​to​ ​consider​ ​the​ ​trend​ ​both​ ​across​ ​a
period​ ​and​ ​down​ ​a​ ​row.​ ​You​ ​do​ ​not​ ​need​ ​to​ ​list​ ​specific​ ​numbers,​ ​but​ ​please​ ​be​ ​specific​ ​about
what​ ​data​ ​you​ ​examined​ ​to​ ​support​ ​your​ ​conclusions.

2)​ ​(1​ ​pt)​ ​The​ ​Aufbau​ ​principle​ ​says​ ​that​ ​the​ ​4s​ ​orbitals​ ​fill​ ​before​ ​the​ ​3d​ ​orbitals.​ ​What​ ​evidence
can​ ​you​ ​find​ ​from​ ​PES​ ​spectra​ ​to​ ​support​ ​this?

3)​ ​(1​ ​pt)​ ​From​ ​the​ ​PES​ ​spectrum​ ​of​ ​Sc,​ ​what​ ​do​ ​you​ ​predict​ ​for​ ​the​ ​electronic​ ​configuration​ ​of
the​ ​Sc​+1​?​ ​(Assume​ ​that​ ​the​ ​electron​ ​removed​ ​from​ ​Sc​ ​to​ ​form​ ​the​ ​cation​ ​comes​ ​from​ ​the​ ​shell
with​ ​the​ ​lowest​ ​ionization​ ​energy.)

4)​ ​(2​ ​pts)​ ​From​ ​the​ ​PES​ ​spectra​ ​of​ ​carbon​ ​and​ ​silicon,​ ​determine​ ​the​ ​ionization​ ​energy​ ​of​ ​each​ ​of
the​ ​occupied​ ​shells​ ​(in​ ​MJ/mol).​ ​What​ ​happens​ ​to​ ​the​ ​ionization​ ​energy​ ​of​ ​a​ ​particular​ ​shell​ ​(say
the​ ​2p)​ ​as​ ​you​ ​move​ ​down​ ​the​ ​periodic​ ​table?​ ​What​ ​happens​ ​to​ ​the​ ​first​ ​ionization​ ​potential​ ​as
you​ ​move​ ​down​ ​the​ ​periodic​ ​table?​ ​(Note​ ​that​ ​the​ ​second​ ​question​ ​corresponds​ ​to​ ​the​ ​textbook
rule​ ​for​ ​the​ ​periodic​ ​trends​ ​in​ ​ionization​ ​potential.)

5)​ ​(2​ ​pts)​ ​The​ ​ionization​ ​energy​ ​of​ ​the​ ​2s​ ​orbital​ ​of​ ​B​ ​is​ ​1.36​ ​MJ/mol.​ ​Is​ ​this​ ​what​ ​you​ ​would
expect​ ​for​ ​the​ ​second​ ​ionization​ ​potential​ ​of​ ​B,​ ​i.e.​ ​the​ ​energy​ ​required​ ​to​ ​go​ ​from​ ​B+​​ ​ ​to​ ​B+2​
​ ?
Why​ ​or​ ​why​ ​not?

6)​ ​(3​ ​pts)​ ​From​ ​the​ ​PES​ ​spectra,​ ​calculate​ ​Z​eff​ ​for​ ​the​ ​occupied​ ​shells​ ​(1s,​ ​2s,​ ​2p)​ ​of​ ​atoms​ ​H
through​ ​Ne.​ ​The​ ​difference​ ​between​ ​Z​ ​and​ ​Z​eff​ ​​ ​can​ ​be​ ​interpreted​ ​as​ ​the​ ​number​ ​of​ ​electrons
shielding​ ​the​ ​nuclear​ ​charge.​ ​How​ ​does​ ​this​ ​number​ ​change​ ​for​ ​the​ ​1s,​ ​2s​ ​and​ ​2p​ ​shells​ ​as​ ​you
move​ ​from​ ​H​ ​through​ ​Ne?​ ​Discuss​ ​these​ ​results​ ​in​ ​terms​ ​of​ ​what​ ​you​ ​know​ ​about​ ​the​ ​shell

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09-107​ ​Honors​ ​Chemistry
Carnegie​ ​Mellon​ ​University

model.​ ​[Ideally,​ ​you​ ​should​ ​use​ ​excel​ ​or​ ​similar​ ​spreadsheet​ ​to​ ​do​ ​these​ ​calculations,​ ​since​ ​they
are​ ​quite​ ​repetitive.​ ​You​ ​can​ ​then​ ​paste​ ​that​ ​spreadsheet​ ​into​ ​this​ ​document.​ ​Canvas​ ​has​ ​a​ ​excel
spread​ ​sheet​ ​with​ ​the​ ​ionization​ ​potentials​ ​from​ ​the​ ​PES​ ​spectra​ ​to​ ​serve​ ​as​ ​a​ ​start​ ​point.​ ​To
understand​ ​the​ ​numbers,​ ​you​ ​can​ ​compare​ ​to​ ​the​ ​PES​ ​spectra​ ​app.]

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