Name:

Accelerated Chemistry I

Deadline: November 04, 2014

Homework #3
1. Which of the followings are predicted by the molecular orbital model to be stable
diatomic species?
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a. N22-, O
2 , F2 18:25
b. Be2, B2, Ne2
2. Using the molecular orbital model to describe the bonding in F2+, F2, and F2-, predict the
bond orders and the relative bond lengths for these three species. How many unpaired
electrons are present in each species?
Exercises
Exercises
2+
2+
3. (a) Give the MO designations for O2, O2 , O2 , O2 , and O2 . (b) Give the bond order in
each
case.
(c) Match
these
with
following
bond lengths:
c.
c.
48.
model
for
benzoic
shown
below.
48. The
The space-filling
space-filling
model
forspecies
benzoic acid
acid isisthe
shown
below. observed
CH
CH22CH
CH33 1.04 , 1.12
, 1.21 , 1.33 , and 1.49 .
H
HH
H
CC

709
709

H
H

CH
CH
CH22CH
CH33
CH33CH
CH
22
4. Using the molecular orbital model,OOwrite electron configurations
for
the following
H
H
acid
Benzoic
acid
diatomic species Benzoic
and calculate
the bond orders. Which ones are paramagnetic? Place the
(C
(C66H
H55CO
CO22H)
H)
53.
53. Consider
Consider the
the following
following idealized
idealized NMR
NMR multiplets.
multiplets.
species in order of increasing bond length and bond energy.
Describe
Describe
the bonding
bonding in
in benzoic
benzoic acid
acid using
using the
the LE
LE model
model
+ the
a.combined
NO with
combined
with the
the molecular
molecular orbital
orbital model.
model.
b.
NO
Spectroscopy
Spectroscopy
1 79
49.
infrared
49.c.The
The
infrared spectrum
spectrum of
of 1H
H79Br
Br shows
shows the
the !! "
" 00 to
to !! "
" 11
NO
#1

transition
transition at
at 2650.
2650. cm
cm#1.. Determine
Determine the
the vibrational
vibrational force
force
1
constant
for
the
HBr
constant for the HBr molecule.
molecule. The
The atomic
atomic mass
mass of
of 1H
H isis
79
79Br is 78.918 amu.
1.0078
amu,
5. Use Lewis
toatomic
depictmass
theof
resonance
structures
of the following species from the
1.0078 formulas
amu, and
and the
the
atomic
mass
of
Br is 78.918
amu.
14
14N16
16O is 1550. N m#1
#1, deter50.
If
the
force
constant
of
50. If the
forcepoint
constant
of Nand
O then
is 1550.
N m MOs
, detervalence
bond
of view
sketch
for the delocalized
systems:
i.i.
ii.
iii.
iv.
mine
ii.
iii.
iv.
mine the
the- wave
wave number
number of
of aa line
line in
in the
the infrared
infrared spectrum
spectrum
14
a.of
NO
, nitrate
atomic
mass
of NO.
NO.3The
The
atomicion
mass of
of 14N
N isis 14.003
14.003 amu,
amu, and
and the
the
16
Which is the correct multiplet for the underlined group
- of
mass
amu.
atomic
mass
of 16O
O isis 15.995
15.995
amu. ion (H is bonded to O)Which is the correct multiplet for the underlined group
b.atomic
HCO
carbonate
3 , hydrogen
in
in the
the following
following molecules?
molecules?
12
16
12
16
51.
spectrum
51. The
The microwave
microwave
spectrum of
of C
C O
O shows
shows that
that the
the trantranc.sition
NO
,
nitrite
ion
a.
CH
CH
O
CH
2
a.
CH
CH
O
CH22 CH
CH33
3
2
3
2
sition from
from JJ "
" 00 to
to JJ "
" 11 requires
requires electromagnetic
electromagnetic radiradi#3
#3 m.
ation
with
a
wavelength
of
2.60
$
10
b.
O
ation with a wavelength of 2.60 $ 10 m.
b.
O
16 of
-1 50
Calculate
the
length
See
Calculate
the bond
bond
length
ofisCO.
CO.
See Exercise
Exercise
50
6. If thea.a.force
constant
of 14
N16
O
1550.
N
m
,
determine
the
wave
number
of aCH
line
in the
CH
CH33 O
O CC CH
CH22 CH
33
for
for the
the atomic
atomic mass
mass of
of 16O.
O.
14
infrared
spectrum
NO. The
atomic mass
of ininN
amu, and theOOatomic mass of
b.
the
frequency
of
absorbed
aa is 14.003
b. Calculate
Calculate
theof
frequency
of radiation
radiation
absorbed
c.
c.
16
rotational
transition
from
the
second
to
the
third
rotational
transition from the second to the third
O is 15.995
amu.
(CH
excited
(CH33))33CC O
O CC CH
CH22 CH
CH33
CH22 CH
excited state
state of
of CO.
CO.
52.
Draw
the
idealized
NMR
spectra
for
the
following
comOO
FF FF
d.
52. Draw the idealized NMR spectra for the following comd.
7. Drawpounds.
the idealized NMR spectra for the following compounds.
pounds.
H
CH33
CH22 CC OO CH
CH22 CH
H22CC CH
CH CH
a.
H
H
a.
H
H
O
O
54.
54. The
The NMR
NMR spectra
spectra below
below are
are for
for the
the organic
organic compounds
compounds
CH
H
CH22 O
O CC CH
CH33
C
and
C
H
O.
Deduce
the
structures
for
these
H
4
10
C66H
H12
and
C
H
O.
Deduce
the
structures
for
thesecomcom12
4 10
pounds.
09 108:HMQY020:hmzum6_2433T:zum6ch14:
pounds. See
See Exercise
Exercise 64
64 for
for aa discussion
discussion of
of the
the bonding
bonding
in
The
structure
has one
H
H
in organic
organic compounds.
compounds.
Thebenzene
structure of
of CC66H
H12
H
H
12 has one
a.
Assume that the five double
hydrogen
atoms
in the
bond,
with
the
rest
being
single
bonds,
double bond, with the rest being single bonds, and
and the
the
Assume
Assume that
that the
the five
five hydrogen
hydrogen atoms
atoms in
in the
the benzene
benzene
structure
of
C
O
has
only
single
bonds.
Note
that
ring
are
equivalent
with
no
spin-spin
coupling.
44H
10
structure
of
C
H
O
has
only
single
bonds.
Note
that
ring
are
equivalent
with
no
spinspin
coupling.
10
ring are equivalent with no spinspin coupling.
the
b.
the TMS
TMS reference
reference has
has been
been omitted
omitted in
in each
each spectrum.
spectrum.
O
b.
O CH
CH3
3

CH
CH33

CC

CH
CH33

c.
H

Exercises

709

CH
CH33
CH2CH3

b.

ic acid is shown below.

CC

cid using the LE model

tal model.

hows the ! " 0 to ! " 1

ne the vibrational force

CH2CH3

CH3CH2

c.

53. Consider the following idealized NMR multiplets.

CC4HH10OO