!"#$%&#'( *+$%,("-%"+.

In geneial, giauuate couises in spectioscopy teach giauuate stuuents how to utilize

spectioscopic techniques to ueteimine moleculai stiuctuies so that they can
pioceeu with theii giauuate ieseaich. To a lessei extent these couises geneially
ueal with piactical applications anu chemical uynamics. That oiientation is quite
appiopiiate foi stuuents in a ieseaich oiienteu cuiiiculum anu I have taught such a
couise many times uuiing my acauemic caieei.
Bowevei the NLFSC auuience is quite uiffeient anu you, as stuuents, aie not likely
to be involveu in any significant way in ueteimining the stiuctuies of unknown
compounus. Accoiuingly this couise will not focus on how to ueteimine stiuctuies
but on how stiuctuies aie ueteimineu. You will leain the theoiy behinu a vaiiety of
spectioscopic techniques, the piinciples of utilizing those techniques anu the
stiategies that chemists use to combine uata fiom uiffeient souices to come to a
valiu conclusion. The couise will also covei the utilization of these techniques anu
theii ueiivatives (CAT, uC-NS, NRI, etc,) in fielus such as meuicine, law
enfoicement, uefense, enviionmental science, etc.

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012, 34 56', 7- *+$%,("-%"+.

1. What Is Spectioscopy
1.1. What Is Spectioscopy 2
2. The 0ptical Spectiometei
2.1. The 0ptical Spectiometei 2
S. 0nit 1Biscussion

012, 84 0#,('92"#$, *+$%,("-%"+.

1. 0ltiaviolet Spectioscopy anu the Exciteu State
2. 0ltiaviolet Spectioscopy As an Analytical Tool
S. Woouwaiu's Rules
S.1. Examples
4. The Woouwaiu-Fiesei Rules foi Bienes
4.1. Examples
S. 0nit 2 Biscussion anu Assignment

012, :4 71;('($< *+$%,("-%"+.

1. Infiaieu Spectioscopy
2. vibiationalRotational Noues
S. Booke's Law
4. Inteipietation of Infiaieu Spectia
4.1. Inteipietation of Infiaieu Spectia 2
S. uioup Fiequencies
6. An IR Resouice
7. 0nit S Biscussion anu Assignment

012, =4 !'-- *+$%,("-%"+.

1. Nass Spectiometiy - Intiouuction
2. The Spectiometei
S. Ionization Nethous
4. Resolution
S. Inteipietation of Nass Spectia
S.1. Example
S.2. Piactice Pioblems anu Exeicises
6. 0nit 4 Biscussion & Assignment

012, >4 ?(","1 !'@1$,2% A$-"1'1%$ B6$"(.

1. Nucleai Nagnetic Resonance (NNR)
2. Inuuction
S. Lenz's Law
4. "Nucleai Nagnets"
4.1. "Nucleai Nagnets" 2
4.2. "Nucleai Nagnets" S: The NNR Tiansition
S. The Laimoi Fiequency
6. The Chemical Shift
7. The Spectiometei
8. Pulseu Expeiiments
9. Relaxation
9.1. Relaxation 2
1u. NNR teiminology:
11. 0nit S Biscussion

012, C 4 ?(","1 !'@1$,2% A$-"1'1%$ 71,$(+($,',2"1

1. Factois Affecting Chemical Shift
1.1. Bybiiuization of Caibon
1.2. The NcConnell Equation anu Biamagnetic Shieluing
1.S. Nagnetic Anisotiopy
2. Signal Intensity
S. Chemical Equivalence
4. Spin-Spin Coupling
4.1. The Coupling Constant, }
4.2. Spin-Spin Coupling In Spectial Analysis
4.2.1. Typical Coupling Constants
4.2.2. Angle Bepenuence of Coupling
4.2.S. Biagiamming Spin-Spin Coupling
4.2.S.1. Biagiamming Spin-Spin Coupling 2
4.2.S.2. Biagiamming Spin-Spin Coupling S
4.2.4. The uecoupling Expeiiment
S. Nucleai 0veihausei Effect, n0e, Backgiounu & 0veiview
S.1. What is n0e.
S.2. The Bomonucleai n0e Expeiiment
6. 0nit 6 Assignment - Pioblem Set

012, D4 E'(/"1 !'@1$,2% A$-"1'1%$
1. Caibon NNR
2. The Sensitivity Pioblem
S. Chemical Shift
4. Coupling Constants
S. Beteionucleai uecoupling
6. Beteionucleai Techniques
7. 0nit 7 Assignment 1
8. 0nit 7 assignment 2 - Pioblem Set

012, F4 G,6$( *+$%,("-%"+2% B$%612H&$-

0thei techniques
PET
CAT
EPR
Functional NRI
X iay uiffiaction
Single ciystal X iay analysis
Election micioscopy



Take home exam
Final Reseaich Papei.

uiauing

The puipose of this couise foi you to leain how spectioscopy is useu in a numbei of
aieas of chemistiy anu ielateu fielus. We will tiy to get you to achieve a minimal
level of competency in spectial iuentification so you can ueal with ielatively simple
pioblems anu appieciate how uifficult it is to ueal with ieally complex systems. 0ui
puipose is to get you to unueistanu anu appieciate not giaue anu uiffeientiate. I
hope we weie successful in ueveloping evaluation items that aie also leaining tools.


I('<21@

Biscussions* 1u

Assignments (7 x1u pts) 7u

Quiz 1u

Take Bome Exam Su

Final Reseaich Papei Su

Total 1Su



* Note. Biscussions aie a ciitical pait of the couise. They affoiu the oppoitunity foi
you to shaie youi unueistanuing with me anu the iest of the class. Non paiticipation
in uiscussions is equivalent to not paiticipating in the class anu those who uo not
paiticipate will not pass. Biscussion will be giaueu only + oi - but the uiscussion
giaue will affect the final giaue by moving it up oi uown one giaue.
!"#$%&"'
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Stait 0nit 1
Reau the text. Familiaiize youiself with a classic spectiometei. Review the basic
physics of light, light anu eneigy, wave tiansmission, absoiption, ieflection, etc.
Biscussion 1- Intiouuctions
Please intiouuce youiself to the iest of the class. Wheie uo you live anu woik, what
aie youi inteiests anu goals. Feel fiee to tell youi classmates anything about
youiself oi youi family you think they might finu inteiesting

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Enu 0nit 1
Enu Biscussion 1
Stait 0nit 2

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Stait Biscussion 2
You have leaineu some of the piinciples of ultiaviolet anu visible spectioscopy as
well as a few things about emission phenomena (fluoiescence anu
phosphoiescence). I woulu like you to think about how these phenomena affect
oiuinaiy life. Think about one oi two of the many ways we aie affecteu by them (0v,
vIS, fluoiescence, phosphoiescence). In youi posting explain the theoietical anu
piactical aspects of the phenomena you have chosen.

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Stait Assignment 1
Submit youi assignment using the Assignment tool in Blackboaiu. See "0nit 2
Biscussion anu Assignment" in text foi uetails.

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Youi fiist, piimaiy, Biscussion 2 post is uue touay. Posting aftei this uate will be
consiueieu non-iesponsive.

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0nit 2 Assignment uue

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Enu Biscussion 2

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0nit S staits
Biscussion S staits Infiaieu spectioscopy anu the use of infiaieu light as a piobe has
been gaining populaiity in a numbei of fielus. Attacheu aie two papeis fiom one of
my colleagues at }IFSAN anu FBA that uesciibes the use of IR in the uetection of
contaminants in complex foou matiices. (Papei 1anu Papei 2). Biscuss one oi moie
iecent uses of IR as an analytical, imaging oi othei piobe. In youi uiscussion point
out the auvantages of using infiaieu light as well as the uifficulties associateu with
its use.

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Stait Assignment S
In the text you will finu a seiies of spectia. 0pen each one in tuin anu go thiough the
analytical pioceuuie that has just been coveieu in the text. uo fiom iegion to iegion
anu look foi absoiptions that give infoimation on compounu stiuctuie. Assign
possible gioup absoiptions foi each compounu anu submit youi answei using the
Assignment tool in Blackboaiu See the calenuai foi the uue uate. The answeis will
be posteu the uay aftei the uue uate.

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Piimaiy post foi 0nit S uiscussion uue

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0nit S Biscussion enus
0nit S Assignment Bue
In the text you will finu a seiies of spectia. 0pen each one in tuin anu go thiough the
analytical pioceuuie that has just been coveieu in the text. uo fiom iegion to iegion
anu look foi absoiptions that give infoimation on compounu stiuctuie. Assign
possible gioup absoiptions foi each compounu anu submit youi answei using the
Assignment tool in Blackboaiu. The answeis will be posteu on the 2Sth.

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Stait 0nit 4
0nit S Assignment Answeis Available. They will be posteu in Couisewoik.

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0nit 4 Biscussion Staits-Choose topic!
Foi uiscussion in 0nit 4 each of you is to choose one of the topics below (1-17). You
aie to go to the Biscussion Boaiuuioup instiument in Blackboaiu anu inuicate
youi choice of topics. This is fiist come fiist seiveu, once a topic has been chosen by
one peison it is not available foi anyone else. Reseaich the pioject you have chosen
anu post a uetaileu uiscussion incluuing the technique, usefulness, cuiient examples
anu othei inteiesting points. Please also submit it in wiitten foim, with iefeiences
anu illustiations as appiopiiate, as an attachment to the uiscussion in Woiu. The
ueauline foi posting these uiscussions will be followeu by thiee uays in which the
iest of the class (anu I) will comment on youi posting. Rules aie the same, one
piimaiy posting anu two seconuaiy postings. This is the only evaluation item foi
this unit so the attachment will be giaueu as an assignment.!
Biu you know that mass spectiometiy is useu to:(1-9) anu What can mass
spectiometiy uo foi you. (1u-17)
1. Betect anu iuentify the use of steioius in athletes
2. 2. Nonitoi the bieath of patients by anesthesiologists uuiing suigeiy
S. S. Beteimine the composition of moleculai species founu in space
4. 4. Beteimine whethei honey is auulteiateu with coin syiup
S. Locate oil ueposits by measuiing petioleum piecuisois in iock 6. Nonitoi
feimentation piocesses foi the biotechnology inuustiy 7. Betect uioxins in
contaminateu fish
8. Beteimine gene uamage fiom enviionmental causes
9. Establish the elemental composition of semiconuuctoi mateiials
1u. Iuentify stiuctuies of biomolecules, such as caibohyuiates, nucleic acius anu
steioius
11. Sequence biopolymeis such as pioteins anu oligosacchaiiues 12. Beteimine how
uiugs aie useu by the bouy
1S. Peifoim foiensic analyses such as confoimation anu quantitation of uiugs of
abuse
14. Analyze foi enviionmental pollutants
1S. Beteimine the age anu oiigins of specimens in geochemistiy anu aichaeology
16. Iuentify anu quantitate compounus of complex oiganic mixtuies
17. Peifoim ultia sensitive multi element inoiganic analyses

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0nit 4 Assignment uue
The 0nit 4 assignment is to submit a wiitten copy of youi 0nit 4 posting complete
with giaphics, iefeiences, etc. Post you woik as text in BiscussionBoaiuuioup anu
as an attachment.
Post Assignment 4 as Biscussion foi 0nit 4
Stait Biscussion of 0nit 4 postings
You aie to ieau the postings of youi classmates anu uiscuss them anu comment on
theii ielevance anu impoitance

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Piactice Pioblems
Tiy some of the piactice pioblems linkeu in the text.

89+:-$' .
Enu 0nit 4 Biscussion

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Stait 0nit S

89+:-$' 4
Please explain the following. Questions: In NNR Spectioscopy:
Why is homogeneity impoitant.
Why aie nitiogen & helium Bewais useu in supeicon instiuments.
Why aie stable fielus impoitant.
anu
Befine supeiconuuctivity.
Submit youi assignment using the Assignment tool in Blackboaiu.

89+:-$' 5
Stait 0nit S Biscussion
As you will see in the next section, NNR techniques can be useu to ueteimine the
solution confoimations of complex molecules. In the 0nit S Biscussion I want you to
consiuei the impoitance of these stuuies.
Bow can this infoimation be useu in biochemistiy, meuicine, uiug uesign, etc.
What auvantages uoes this technique offei ovei otheis, in paiticulai ovei single
ciystal X-iay ciystallogiaphy.

89+:-$' 12
0nit S Assignment Bue
0nit S Assignment Bue Please explain the following. Submit youi explanations
submit youi answeis using the Assignment tool in Blackboaiu.

Questions:
Befine supeiconuuctivity.
With iespect to NNR, why is homogeneity impoitant.
Why aie nitiogen & helium Bewais useu in supeicon instiuments. Why aie stable
fielus impoitant.

89+:-$' 11
0nit S Biscussion Enus

89+:-$' 1.
Stait 0nit 6
0nit 6 is a veiy uifficult unit. It intiouuces you to the vaiious tools in NNR that allow
stiuctuie ueteimination. Fiom time to time uuiing the unit theie will be links to
exeicises. It is absolutely ciitical that you uo these exeicises! I woulu also encouiage
you to ieau the NNR pait of Bi. Reusch's on line text at:
http:www.cem.msu.euu~ieuschviitualTextSpectipynminmi1.htm#nmi1

89+:-$' 13
Stait 0nit 6 Assignment. See couise text foi uetails.

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0nit 6 0n line Quiz
The Quiz will be available foi thiee uays. You will be given 2u minutes to complete
it. Access the quiz fiom the Couisewoik. The quiz will test you on magnetically
equivalent piotons in pioton NNR. Befoie you stait b suie you have masteieu the
pioblem sets:
http:www.cem.msu.euu~ieuschviitualTextQuestionsueneialeqvgip1.htm
http:www.cem.msu.euu~ieuschviitualTextQuestionsueneialeqvgip2.htm
http:www.cem.msu.euu~ieuschviitualTextQuestionsSpectioscopynmi1n
mi1.htm

89+:-$' .4
Last Bay foi 0nit 6 Quiz
Last Bay foi 0nit 6 Quiz Last uay foi quiz. The quiz will no longei be available aftei
miunight touay. You will be given Su minutes to complete it. Access the quiz fiom
the Couisewoik. The quiz will test you on magnetically equivalent piotons in pioton
NNR.

89+:-$' ./
Enu 0nit 6-0nit 6 Assignment Bue
0nit 6 Assignment - Pioblem Set Bue See 0nit 6 Pioblem Set

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Stait 0nit 7

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Ask Biscussion Question
Ask Biscussion Question I expect that each of you is somewhat confuseu about some
aspect of 0nit 7. It is youi iesponsibility (a iequiiement!) to contiibute to the couise
by ASKINu a question. The question may be askeu any uay this week. You aie to ask
a question whose answei will help to claiify one of the concepts you aie having
uifficulty with.

89+:-$' .7
Assignment 7
See "0nit 7: Exeicises anu Assignment" foi uetails. Be suie to uo ALL EXERCISES

;:<$,-$' .
Biscussion 7Pioblem set
BiscussionPioblem set Biscussion 7 is both an assignment ANB a uiscussion.
Attacheu to the text you will finu a seiies of stiuctuial pioblems in Puf foimat. 0ne
of you will be assigneu to each of the pioblems (See youi e-mail). You aie to woik
out the pioblem anu post youi analysis, incluuing youi uetaileu ieasoning, in the
Biscussion 7 space by Novembei 1u. Biscussion will continue fiom Novembei 1u
until Novembei 17. Note that this will be excellent piepaiation foi youi take home
exam anu an oppoitunity to auuiess aieas you aie having uifficulty with (you might
actually get some hints!). Befoie you stait I auvise you to woik out all the pioblem
sets in the text ANB to woik out some of the pioblems (the easy ones) at:
http:www.chem.ucla.euu~webspectia#Pioblems Answeis aie pioviueu.

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0nit 7 Assignment Bue

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Submit Reseaich Papei Topic
An inuepenuent ieseaich papei is iequiieu in this couise. The papei must be fully
uocumenteu (Bewaie of plagiaiism!) anu must be submitteu by the last uay of
classes (Nov 2S). The papei must be ielative to something coveieu in the couise.
Please submit youi topic of choice foi appioval anu auvice.

B0 N0T START 0N TBE PAPER WITB00T AN APPR0vEB T0PIC!

;:<$,-$' 6
Stait 0nit 8

;:<$,-$' 7
Stait Biscussion of Pioblem set Staits
All shoulu be ieauy. I will ask one of you to leau off in each gioup.
We will uiscuss each of youi assigneu pioblems in tuin. The peison who submitteu
the answei will be the piimaiy uiscussant B0T it is impoitant that you all get in
youi two cents. You will be infoimeu of the sequence of uiscussions (youi tuin) by e
mail.

Pioblem Answei uue
Post the answei to youi assigneu pioblem in the Biscusssion 7 space anu attach it in
Woiu.

;:<$,-$' 1.
Take Bome Exam Available
Take Bome Exam Available Take home exam accessible in the Couisewoik section.
Befoie you stait, woik out the pioblems in:
http:www.cem.msu.euu~ieuschviitualTextQuestionsSpectioscopyspectia2.
htm

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Biscussion of pioblem set enus

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0nit 7 Enus

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0nit 8 Staits

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Take Bome Exam Bue

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Final ieseaich papei uue