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MATSE 201: Exam 1 Review
Atomic Structure, Nature of Bonding, Crystal Structure and Defects
49
Chemistry
Undergraduate 2
09/22/2010

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Term
How to solve?

A substance is 20 wt% Sn and 80 wt% Au.
What are the atomic percentages of each?
Definition
-recall that atomic % = (atoms of X)/(total # atoms)
-assume basis of 100 g
-convert grams to moles to # atoms for each
-add to get total # atoms
-calculate atomic %
Term
Aufbau Principle of electron configuration
Definition
1s
2s 2p
3s 3p 3d
4s 4p 4d 4f
etc.
Term
Hund's Rules of electron configuration
Definition
1. Electron pairs with opposing spins are low energy
2. Electrons orbiting in the same direction are low energy
3. Make half-filled subshells when applicable
Term
E = hν
Definition
Term
c = λν
Definition
Term
Most pure elements exist as ___
Definition
metals
Term
isotopes
Definition
atoms with same number of protons but different numbers of neutrons
Term
quantum number 1
Definition
called: principle quantum number
symbol: n
defines: shell
related to: energy level; distance from nucleus
ex: 1, 2, 3
Term
quantum number 2
Definition
called: angular momentum number
symbol: l
defines: subshell
related to: orbital shapes
ex: 0, 1, 2, 3 (s, p, d, f)
Term
quantum number 3
Definition

called: magnetic number

symbol: ml

defines: orbitals for e pairs within subshells

ex: 0, +1, -1, +2, -2

Term
quantum number 4
Definition
called: spin number
symbol: ms
defines: spin
ex: + or -
Term
In transition metal ions, the relative energy levels of subshells can shift such that electrons from the ___ subshell are usually given up first.
Definition
s
Term
describe bond types

graphite
Definition
strong covalent within a sheet
weak secondary bonds between sheets
Term
describe bond types

Al + Si + Mg alloy
Definition
it's a metal alloy, so the bonding is metallic
Term
describe bond types

polyethelene
Definition
it's a hydrocarbon polymer, so it has strong covelent bonding
Term
describe bond types

ice (frozen water)
Definition
covalent intra-atomic bonds
secondary (hydrogen) inter-atomic bonds
Term
Covalent bonds are highly ___ and are characterized by sharing of electrons and relatively ___ coordination numbers.
Definition
directional
low
Term
crystal system
Definition
describes shape of unit cell
can completely fill space with translational symmetry
there are 7 (cubic, tetragonal, hexagonal, etc.)
Term
lattice parameters
(aka lattice constants)
Definition
lengths of sides a, b, c of a unit cell for a crystal system
Term
lattice points
Definition
arrangement of atoms in 3D
points in space that are equivalent thru translational symmetry
each may consist of more than one atom (the basis)
Term
Primitive cell vs.
non-primitive cell
Definition
primitive cell has only one lattice point per unit cell
Term
Bravais Lattices
Definition
possible arrangements of lattice points in the 7 crystal systems
there are 14 (simple cubic, fcc, bcc, etc.)
Term
crystal structure
Definition
Bravais lattice + basis
(unit cell) (atom complex)
ex, simple cubic + atom pair = crystal structure
Term
lattice position
Definition
just a location in the unit cell
Term
lattice direction
Definition
[ ]
[(a displacement) (b disp.) (c disp.)]
use lowest whole numbers
Term
family of lattice directions
(aka general direction)
Definition
< >
set of directions that are equivalent through symmetry
Term
lattice planes
Definition

( )

((a intercept)-1 (b intcpt.)-1 (c intcpt.)-1)

 

note: of the plane inter cepts the origin,

translate it before you give the indeces

Term
family of lattice planes
Definition
{ }
Term
linear/planar density
Definition
number of atoms per unit length/area
in a given crystal direction/plane
Term
a vs. r
Definition
sc: a = 2r
fcc: a = 4r/rt(2)
bcc: a = 4r/rt(3)
hcp: a = 2r
Term
calculate density
from unit cell
Definition
density = [(# atoms)/(volume)]*[(atomic wt)/(NA)]
Term
APF
atomic packing factor
Definition

APF = (V of atoms in cell)/(V of cell)

 

APF = [(# atoms/cell)(4πr3/3)]/(a2)

 

Term
diffraction rules

simple cubic
Definition
any h k l
Term
diffraction rules

fcc
Definition
h k l all odd or all even
Term
Bragg's Law
Definition
λ = 2dhklsinθ
Term
lattice plane distance
Definition
dhkl= a/rt(h2+k2+l2)
Term
applications of
X-ray diffraction
Definition
1. determination of crystal structure (computer-aided)
ex, DNA structure
2. determination of glassy-to-crystalline phase transitions in glassy materials
ex, take XRD at different temperatures and compare them
3. determination of crystal quality
ex, impurities make for wider peaks; the skinnier the peaks, the higher the crystal quality
4. amounts and phases present in multiphase systems
Term
coordination number
Definition
number of immediate neighbors surrounding an atom
Term
Pauli exclusion principle
Definition
no two electrons in an atom can have the same four quantum numbers
Term
Bohr model of atom
assumptions?
limitations?
Definition
1. e move about nucleus in defined orbits
2. each e has quantized energy
3. transition form one state to another requires a quantized amount of energy to be absorbed or released

1. works correctly only for hydrogen
Term
bond energy vs. distance
Definition
[image]
Term
ionic bond properties
bond strength?
directional bonds?
electrons?
conducting?
CNs?
ductile?
Definition
relatively high bond energy
(high melting points, high stiffness, low thermal expansion)
low electrical conductivity
hard + brittle
high CNs
Term
covalent bond properties
bond strength?
directional bonds?
electrons?
conducting?
CNs?
ductile?
Definition
high directionality
relatively strong bonds (but less than ionic)
tend to be brittle
electric insulating or semi-conducting
low CNs
Term
metallic bond properties
bond strength?
directional bonds?
electrons?
conducting?
CNs?
ductile?
appearance?
Definition
can be weak or strong bonds
non-directional bonds
delocalized electrons
good conductors
high CNs
ductile at room temp
opaque and shiny
Term
non-crystallinity
Definition
amorphous or glassy
no long-range order
no periodic packing--non-dense, random packing
Term
crystallinity
Definition
long-range order
dense, ordered packing
periodic, 3D arrays
lower energy than amorphous
Term
Zachariasen Rules

glass formers
Definition
1. each O should be linked to no more than 2 cations
2. CN of oxygen about each cation must be small (4 or less)
3. oxygen polyhedra share corners (not edges nor faces)
4. at least 3 corners of polyhedra should be shared

cation-O bond are strong
usually cation is relatively electronegative -> less ionic character
Term
some typical glass formers
Definition
SiO2
B2O3
GeO
P2O5
As2O3
Term
diffraction rules

bcc
Definition
h+k+l = even
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