BONDING

BONDING

Introduction Atomic structure Periodic table Chemical bonding

BONDING
INTRODUCTION

Atoms are the basic building block of any materials.

These atoms consists neutrons and electrons. of protons,

BONDING

The atomic weight is the total weight of the protons and neutrons present. The atomic number Z, is a number which corresponds to the no. of electrons or protons present in a neutral atom.
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Atomic structure
What is atomic structure? The term atomic structure means the spatial arrangement of electrons around the nucleus in an atom. The quantum mechanical theory (QMT) has explained the atomic structure satisfactorily.

Atomic structure

Schematic atomic structure

Atomic structure

Real atomic structure

Atomic structure
Quantum atomic model According to QMT the position of an electron in an atom cannot be specified precisely, but it is possible to visualize the electron as an electron probability density cloud around the nucleus. Each electron present in an atom is specified by a unique set of quantum numbers such as n, l, m, s.

Atomic structure

n is called principal quantum number can have all positive integer values (ie. 0,1,2,3), the larger the n value the electron is farther from the nucleus. l is called orbital angular momentum quantum number which gives the shape of the orbital and can have values from l= 0 to l= n-1.

Atomic structure

It is customary to specify s for l =0; p for l=1; d for l=2; f for l=3 etc.

m is the magnetic quantum number and defines the spatial orientation of the orbitals and take values from l, -l+1, , 0 , , l-1, l .

Atomic structure

s is the spin quantum number can take values of + and -

The orbitals are arranged in the order of increasing energy as 1s, 2s, 2p, 3s, 3p, 4s, 4p, 5s, 4d, 5p.. in the atom.

Atomic structure

The filling up of electrons in these orbitals is according to the pauli exclusion principle and minimum energy criterion. The maximum no. of electrons in each orbital is given by the formula 2(2l+1)
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The periodic table

The periodic table is the systematic arrangement of elements was originally developed by experimental observations.

The periodic table

In this table, elements are placed in order of increasing atomic number and arranged in a series of vertical column, or groups, so that all the elements in a group display similar chemical properties.

The periodic table

The similarity of properties in groups is due to the fact, that presence of same no. of electrons in its outer, or valence, shells that participate most strongly in chemical reactions.

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Chemical bonding
Chemical bond

Primary bond

Secondary bond

Primary bond

Stronger bonds with bond energies in the range of 100-1000KJ/mol(110ev/bond) The type of primary bond an atom will form is determined by the properties such as electronegativity, ionization potential and electron affinity.

Primary bond

Electronegativity is the relative tendency of an element to gain or attract an electron. Ionization potential is the energy required to remove an electron from an isolated neutral atom. Electron affinity is the energy released when an isolated neutral atom gains an electron.

Primary bond

If the difference in electronegativity values, of two atoms which are forming bond, is more it will form ionic bond and if it is less it will form covalent bond. The bonding can be understood using interatomic force and potential energy curves.

Primary bond
Classification of primary bonds
Primary bonds
Ionic Covalent Metallic

Ionic bond

Formation of Ionic bond between Na+ an Cl atoms to produce NaCl

Na - 1s2 2s2 2p6 3s1 &

Cl - 1s2 2s2 2p6 3s2 3p5

Ionic bond

Ionic bond forms between two oppositely charged ions which are produced by transfer of electrons from one atom to another atom.

1. 2. 3.

Production of ions of opposite sign The columbic attraction The short range repulsion

Ionic bond
1.

Production of ions of opposite sign

The element sodium (Na) has at. no. Z=12 also of electronic configuration 1s2 2s2 2p6 3s1 and the first ionization potential is 5.1ev/atom(496KJ/mol). Therefore the reaction is as follows: Na Na+ + e-

Ionic bond

The atomic no. of Cl is 17 with the electronic configuration of 1s2 2s2 2p6 3s2 3p5 also the electron affinity of Cl is 3.8eV/atom(369KJ/mol).Therefore the Cl atom occupy the electron released by Na atom as below: Cl + eClThe net increase in potential energy (E) is 1.3eV(127KJ/mol).

Ionic bond
2.

The columbic attraction

The charged ions will act as point charges. The columbic force of attraction will act on the atoms and is equal to F =A z1z2e2/r Where, z1 & z2 are the valency of the two ions, e is electronic charge, r is the distance of separation and A is const.

Ionic bond
3.

The short range repulsion

The assumption of point charge will be valid only when the electron clouds of two atoms do not overlap. When they starts overlapping the repulsive force increases sharply with decreasing distance due to pauli exclusion principle. And is equal to F = B/rm Where, B & m are consts.

Ionic bond
summary

The total potential energy associated with the system of bond forming atoms is given by: W = -A z1z2e2/r + B/rm + E The bond energy (Wo) and bond length (ro) can be found by setting dW/dr = 0.

Ionic bond

The ionic character of the bond increases as the difference (E) reduces( i.e. the ionic bond is favored between the electropositive and electronegative elements) Ionic bonds are non directional consequently the ionic solids are closely packed.
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Covalent bond

Formation of covalent bond between two Cl atoms to produce Cl2 molecule

Covalent bond

Covalent bonding occurs by the sharing of electrons(overlapping of electron clouds) between neighboring atoms. These are directional bonds Packing is not so close as ionic bonding.

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Metallic bond

Metallic bonds are best characterized by the phrase "a sea of electrons"

Metallic bond

The sharing between the neighboring atoms are delocalised. The metallic state can be visualized as an array of positive ions with a common pool of electrons to which all the metal atoms have contributed their outer electrons. These common pool is called free electron cloud.
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Secondary bonds

These bonds are weaker compared to primary bonds. This bonds arises due to the presence of dipole moments in molecules. Examples of these types of bonds are hydrogen bond and van der Walls

bond.

Secondary bonds

Hydrogen bond In many molecules, where hydrogen takes part in the covalent bonding, the centers of the positive and negative charges do not coincide. As a result these molecules possesses a permanent dipole moment (E.g H2O). The presence of dipole moment makes bond.

Secondary bonds
+ +

+
+

The presence of hydrogen bond between water molecule

Secondary bonds

van der Walls bond These bond arises between atoms due to the momentary fluctuations in the charge distribution around atom.
Inert gases forms solids at low temperatures due to the van der Walls force.
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Structure of solids
The solids can exist in two forms Such as crystalline and noncrystaline states. The no. of nearest neighbors (CN), that an atom or an ion has in a solid is nearly the same for crystalline and noncrystaline. In crystals the long range order (LRO) is maintained but in non crystals the short range order (SRO) is maintained.

Atomic packing and coordination number

as the number of nearest neighbors of each atom in a structure. The CN of ionic solids are determined by the size difference of the atoms taking part, i.e. in terms of radius ratio of cation to anion ( rc / ra).

Coordination number (CN) is defined

Atomic packing and coordination number

The relationship between the ratio of the radii and the resulting CN is found by setting the following conditions: i. Cations touch anions. ii. The no. of anions surrounding a given cation will be as high as geometrically possible. iii. And ions cannot overlap.

Atomic packing and coordination number

Coordination Critical No. (r/R) value 2 3 0 0.155 (r/R) stability range 0<r/R < 0.155
( leanier)

Geometry

0.155 r/R < 0.225

( triangular)

0.225

0.225 r/R < 0.414

(tetrahedral)

Atomic packing and coordination number

6 0.414 0.414 r/R < 0.732

( octahedral)

0.732

0.732 r/R < 1 ( cubic) FCC or HCP

12

1.0

r/R = 1

Atomic packing and coordination number

1.

Ionic solids The cation is usually small than anion. And ionic bonds are non directional . Therefore it can have coordination number from 2 to 12 depending on the radius ratio.

Atomic packing and coordination number

Covalent solids covalent solids are directionally bonded. Therefore it will be loosely packed. For example diamond has a coordination of 4.

Atomic packing and coordination number

Metallic solids Metallic bonds are nondirectional And the metallic atoms can be considered as spheres of constant radius. Therefore the metals are packed in closed pack structure such as FCC, HCP (0.74) or BCC (0.68).