Atomic Structure

Outline
Review of Atomic Structure
 Protons, Neutrons, Electrons

Atomic Bonding in Solids Periodic Table 10 / 20 Interatomic Bonds

Components of MSE
Structure the arrangement of the internal components of materials
 Different levels: a. Subatomic b. Atomic c. Microscopic d. Macroscopic

Structures
Different levels:
a. Subatomic

Structures
Different levels:
b. Atomic

Structures
Different levels:
c. Microscopic

Structures
Different levels:
c. Macroscopic

Review of Atomic Structures

Atoms = nucleus (protons and neutrons) + electrons Charges:
 Protons = +1.6 x 10-19 Coulombs  Electrons = -1.6 x 10-19 Coulombs  Neutrons = 0.0 Coulombs

Review of Atomic Structures

Masses:
 Protons = 1.67 x 10-27 kg  Neutrons = 1.67 x 10-27 kg  Electrons = 9.11 x 10-31 kg

Atomic Mass (A)= Mass of Protons + Mass of Neutrons

Review of Atomic Structures

Atomic Number (Z) = # of Protons
 This gives the chemical identification to the element!

Isotope Number (N) = # of Neutrons Mole = amount of matter with 6.023 x 1023 atoms (Avogadros No.)

Review of Atomic Structures

Atomic Mass Number (amu) = 1/12 of the atomic mass of the most common isotope of carbon, 12C
 1 amu = 1.66 x 10-24 g

Atomic Weight = weighted mean of the atomic mass of an elements naturally occurring isotopes

Atomic Models
Bohr Model
 electrons are assumed to revolve around the atomic nucleus in discrete orbitals  position of any electron is more or less well defined in terms of its orbitals (Quantized ~ position and energy)

The electrons form a cloud around the nucleus, of radius of 0.05 2 nm

Atomic Models
Wave Mechanical Model
 electrons have wave and particle characteristics  the position of an electron is described by a probability described by a wave function or equation (Schrodingers)

Principal Numbers
Solution / consequence of Schrodingers Equation
Principal Quantum Number, n
 total energy of the electron  related to the distance of an electron from the nucleus  indicates the size of the orbit  lower value of n: more stable state n= 1,2,3,4

Principal Numbers
Orbital Quantum Number, l
 signifies the subshell  associated with the angular momentum of the revolving electron  related to the shape of the electron subshell (Shape of the orbit)  l = s, p, d, f

Principal Numbers
Magnetic Quantum Number, ml
 the number of energy states for each subshell  related to the component of the angular momentum in a specified direction

Spin Quantum Number, ms

 related to the spin of the electron about its own axis

Paulis Exclusion Principle

only one electron can have a given set of the four quantum numbers each electron state can hold no more than 2 electrons, which must have opposite spins

Electronic Configuration
represents the manner in which states are occupied Ground state when electrons occupy the lowest possible energies

Electrons fill quantum levels in order of increasing energy

Example: Iron, Z = 26: 1s2 2s2 2p6 3s2 3p6 3d6 4s2

Electronic Configuration
Valence electrons electrons that occupy the outermost shell
 responsible for bonding  most chemical and physical properties of elements are based on valence electrons

Periodic Table of Elements

Periodic Table of Elements

introduced by a Russian scientist Dimitri Mendeleev in 1869 elements are classified according to electron configuration
 elements which show a similarity in chemical properties, are arranged in the same column or group

Periodic Table: Group TRENDS

0: Inert gases (He, Ne, Ar...) have filled subshells: chem. inactive IA: Alkali metals (Li, Na, K) have one electron in outermost occupied s subshell - eager to give up electrons chem. active VIIA: Halogens (F, Br, Cl...) missing one electron in outermost occupied p shell - want to gain electrons - chem. active

Electronegativity
a measure of how willing atoms are to accept electrons
 Subshells with one electron - low electronegativity (aka. Electropositive ~ readily give up their valence electrons)  Subshells with one missing electron high electronegativity (aka. Electronegative ~ readily accept electrons)

Periodic Table: General TRENDS

the metallic property elements increases from right to left of a period the metallic property also increases from top to bottom of a group elements along a same group have the same number of valence electrons transition metals have very similar properties; thus a wide variety of alloys can be produced

Atomic Bonding
Illustrative Example: 2 atoms, with separation distance r g
 @r

g, F 0 (negligible)

When r r0, force F becomes significant Forces: Attractive (FA), and Repulsive (FR)

Atomic Bonding
FA FR type of bonding overlapping of orbital clouds Fnet = FA + FR

Atomic Bonding: Fnet

Atomic Bonding: Enet

Potential Well

Potential Well
Translates to:
 Melting Temperature of Materials  Elastic Modulus (Rigidity)  Coefficient of Thermal Expansion (CTE)

The deeper the energy trough, the higher energy needed to overcome it!

Types of Bonds
Primary
 Ionic  Covalent  Metallic

Secondary
 Van der Waals (LVdW)  Hydrogen

Ionic Bonds
Electron Transfer Typical of compounds of extremities of the periodic table (metallic+nonmetallic) Example: NaCl

Example: NaCl
Na (metal) unstable electron Na (cation) stable Cl (nonmetal) unstable

Coulombic Attraction

Cl (anion) stable

Covalent Bonds
Sharing of Valence Electrons
 Two atoms that are covalently bonded will each contribute at least one electron to the bond,  shared electrons may be considered to belong to both atoms

Non-metallic, non-solid elemental molecules (H2, N2, O2, Cl2)

Example: CH4 (Methane)

C: h H: h El tr r 4v l d 4 1v l d 1 , r , r
H C H h r d l tr fr hydr g t H

CH 4

h r d l r fr

tr t

g tiviti p r l .

Metallic Bonds
Valence electrons are detached from atoms, and spread in an electron sea that "glues" the atoms together Metals and Alloys

Van der Waals Bonds

interaction of fluctuating atomic or molecular dipoles No electron sharing / transfer Example: H20 (Water)

+
H

London Van der Waals?

H H

O
H H

O
H

O
H

O O
H

O
H H

O
H

O
H

Hydrogen Bonds
secondary bond formed between two permanent dipoles in adjacent molecules with hydrogen