QUANTUM MECHANICS THEORY

This chapter will explore the Quantum Mechanics Theory that describes the position of electrons in atoms as a probability. The probability to find electrons in orbitals within an atoms is known as the orbital concept. The arrangement of electrons in orbitals in an atom produces electron configuration, which was empirically confirmed by the Periodic System. A. The Quantum Mechanics Theory The atomic model proposed earlier by Bohr was based on Classical Mechanics which considers an electron as a discrete particle. However the model was questioned with emergence of Wave Mechanics. This began with a hypothesis proposed by Louis De Broglie (1924) on the dualism of matter. In 1926 Erwin Schrodinger formulated the wave equation () that can be used to describe the wave characteristic of electrons. represents the amplitude of the spherical wave. 2 2 2 8 2 + + + = 0 2 2 2 2 Position of electrons in the Quantum Mechanics in atoms described by their wave properties and probabilities. Electrons are pictured as clouds of negative charge spread out around the nucleus. These clouds represent regions with higher probability of finding electrons, and are called orbitals. An orbitals is defined as the region of space in an atom with higher probability of finding electrons.

and the nucleus and the principle level energy. The values n starts from n = 1 until n = . The shell is often symbolized with the letter K for n = 1, L for n =2, M for n=3, etc. b. The Azimuthal Quantum Number (l) The azimuthal quantum number (l) divides the shell into subshells. For every n shell, the value of l starts from l = 0 until l = (n 1). The subshells is often symbolized with the letter s for l = 0, p for l = 1, d for l = 2, etc. c. The Magnetic Quantum Number (ml or m) The magnetic quantum number (ml) divides the subshells into orbitals. For every l subshell, the value of ml starts from ml = +l until ml = -l. d. The Spin quantum Number (ms or s) The spin quantum number (s) states the direction of spin the electron in an orbital, which is clockwise or anticlockwise. These two directions are symbolized with arrows and . The spin quantum number s is valued as + orbital can only have two s values. l ml ms
1 2 1 2

and . An e

Tabel 1. Summary of the quantum numbers

orbital

Figure 1. Clouds of electrons in an atom

1. Quantum Numbers a. The Principal Quantum Number (n) States the shell where the orbital located, and is related to average between the electron clouds

2. Orbital Energy, Shape and Orientation Orbital energy is characterized by the principal quantum number (n) and the azimuthal quantum number (l). The principal quantum numbers determines the major energy level, while the azimuthal quantum numbers is associated with the subshell energy.

Figure 4. Shape of orbital in the different quantum number

Figure 2. the energy level diagram for atoms with 2 or more electrons.

a. Aufbau Principle According to the Aufbau Principle, in normal conditions or at the ground state, electron tend to occupy orbitals with lower energy first (see figure 2). The order is as follow:

Orbital shapes are characterized by the azimuthal quantum number (l). Orbitals with the same l values will have the same orbital shape. Meanwhile orbital orientations are characterized by the magnetic quantum number (ml).

Figure 5. The Aufbau scheme

Figure 3. Basic shape of orbital

b. Paulis Exclusions Principle Paulis Exclusions Principle states there is no two electrons are allowed to have the same four quantum number. According to this principle, if two electrons have the same n, l, and ml values, then the s value must be the opposite. c. Hunds Rule Hunds Rule of Maximum Multiplicity: if electrons are placed in to orbitals in the same subshell, then the electrons will occupy the orbitals one by one with the same spin before pairing up. To understand how the three rules above are applied, please complete at several exercises bellow:

3. Electrons Configurations Electron configuration describes the arrangement of electron in orbitals within an atom. Scientist have established three rules for filling electrons into orbiltals. They are Aufbau Principle, Paulis Exclusions Principle and Hunds Rule.

Write down the electron configuration of the following elements/ions: F(Z=9), Ar(18), Sc(21), O(8), O2-, Fe(26), Fe2+,Cr(24), Cu(29), La(57) Answers: F = Ar = Sc = [Ar] O = O2- = Fe = [Ar] Fe2+= [Ar] Cr = [Ar] Cu = [Ar] La = [Xe] B. Electrons Configuration and The Periodic System The electron configuration of elements obtained from the Quantum Mechanics Theory is confirmed empirically by classifications of elements in the Periodic System. To understand this, note the relation between electron configuration of elements and their position in Periodic System bellow; In one period, the largest value of the quantum number n is same as the period number. In one group, elements have the same valence electron configuration. The types of subshells occupied by the valence electrons state the type of group. The number of valence electrons states the group number For group VIIIB and IIB, the number of valence electron indirectly states the group number For the lanthanide and actinide series the number of valence electrons does not reflect the group number, because these two series do not use group numbers. The relation between electron configuration and group number for the main groups and the transitions groups are summarized in the table 2. The type subshells occupied by the last electron configuration of elements also classifies the Periodic System in to s, p, d and f blocks, as shown in figure 6.

Tabel 2. Relation between valence electrons configuration and main group Valence electron configuration Number of valence electron Main Group

ns1 ns2 ns2np1 ns2np2 ns2np3 ns2np4 ns2np5 ns2np6 ns2(n-1)d1 ns2(n-1)d2 ns2(n-1)d3 ns2(n-1)d4 ns2(n-1)d5 ns2(n-1)d6 ns2(n-1)d7 ns2(n-1)d8 ns1(n-1)d10 ns2(n-1)d10

1 2 2+1=3 2+2=4 2+3=5 2+4=6 2+5=7 2+6=8 2+1=3 2+2=4 2+3=5 2+4=6 2+5=7 2+6=8 2+7=9 2 + 8 = 10 2 + 9 = 11 2 + 10 = 12

IA IIA IIIA IVA VA VIA VIIA VIIIA IIIB IVB VB VIB VIIB VIIIB IB IIB

Figure 6. The classification of periodic system into s, p, d and f blocks

Exercises: Predict the position of the following elements in the periodic system: Ca (Z=20), At(85), Si(14), Cr(24), As(33)! Answer:

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