Introduction to

Spectroscopy

300 kJ/mol

170 kJ/mol

2
1

Ephoton = hphoton
= c/
300 kJ/mol

h = 4.0 x 10-13 kJ s/mol

c = 3.0 x 108 m/s

170 kJ/mol

E = hc/ = 1.2 x 10-4 (kJ m/mol) /

E = hc/ = 1.2 x 10-4 (kJ m/mol) /
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E = hc/ = 1.2 x 10-4 (kJ m/mol) /

E = 1.2 x 10-4 (kJ m/mol) / 165 x 10-9 m
E = 724 kJ/mol
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E = hc/ = 1.2 x 10-4 (kJ m/mol) /

E = 1.2 x 10-4 (kJ m/mol) / 217 x 10-9 m
E = 552 kJ/mol
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nuclear
transformations
core electron excitations

molecular vibrations

electronic excitations

nuclear spin flips

molecular rotations
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To interact with light the

vibration must change the
dipole of the molecule.

Number of vibrations equal 3N-6

3 coordinates for each atom minus
three translations and three rotations

http://www.cem.msu.edu/~reusch/VirtualText/Spectrpy/InfraRed/infrared.htm#ir2

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small
dipole
change
means a
weak peak
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H
N

amide

O
O

ester
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carboxylic acid

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ketone
O

anhydride

aldehyde
O
Cl

acid chloride

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The two spin states of the proton (H nucleus interacting

with a magnetic field (B) (The proton has spin just like the
e- has spin)

hv

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Aligned with Magnetic Field

Opposed to Magnetic Field

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The expected NMR

spectrum for bromoethane

The molecular structure of bromoethane

CH2

CH3

The CH3 and CH2 protons have different

Chemical shifts
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Spin-Spin Coupling: The spin of proton Hy

can be "up" or "down"
The spins for
protons Hy can
be "up", can be
opposed (in 2
ways) or can
both be "down"

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The NMR spectrum of

CH3CH2Br (bromoethane) with TMS reference

The spins for the

protons Hy can
by arranged as
shown in (a)
leading to four
different magnetic
environments

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1H

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NMR spectra of 2-butanone

H
H
H
H

H
H

Hs farther away than the neighboring carbon usually dont couple.

Hs dont couple with each other if they are related by symmetry or
If they become equivalent by rotation

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3-Pentanone
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Prof. Paul Lauterbur won the 2003 Nobel Prize in Medicine

for work done in the Chemistry Department at Stony Brook.
He made the fundamental discovery of MRI
(nuclear magnetic resonance imaging)

(Nuclear) Magnetic Resonance Imaging (MRI)

http://www.nobel.se/medicine/laureates/2003/index.html

See display in the lobby of the Chemistry Department43

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