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Quantum Numbers and Atomic Orbitals

This document provides an overview of chapter 2 on atomic structure from a chemistry 1 course. It discusses the quantum mechanical model of the atom, quantum numbers, orbital shapes and energies, and electron spin. The learning objectives are to understand the quantum mechanical model and write electronic configurations of atoms and ions. On completion, students should be able to define orbitals, state quantum numbers, write electronic configurations using spdf notation, and apply principles like Aufbau, Hund's rule, and Pauli exclusion.

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0% found this document useful (0 votes)
24 views8 pages

Quantum Numbers and Atomic Orbitals

This document provides an overview of chapter 2 on atomic structure from a chemistry 1 course. It discusses the quantum mechanical model of the atom, quantum numbers, orbital shapes and energies, and electron spin. The learning objectives are to understand the quantum mechanical model and write electronic configurations of atoms and ions. On completion, students should be able to define orbitals, state quantum numbers, write electronic configurations using spdf notation, and apply principles like Aufbau, Hund's rule, and Pauli exclusion.

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Subject Name Chemistry 1

Topic Chapter 2

Title Atomic Structure

1. Chapter Overview
 The quantum mechanical model of an atom
 Quantum numbers
 Orbital shapes and energies
 Electron spin and the Pauli principle

2. Learning Objectives
 To understand the quantum mechanical model
 To learn to write the electronic configuration of an atom and monoatomic ions

3. Learning Outcomes:
On successful completion of this topic students should be able to:
• Define the term orbital
• State all the four quantum numbers of an electron
• Write the electronic configuration of an atom using spdf notation
• State and use Aufbau principle, Hund’s rule and Pauli exclusion principle in filling
of electrons of an atom
Introduction to Electronic configuration
 Electrons are arranged around the nucleus of an atom in shells.
 Each shell consists of a number of subshells labeled s,p,d f,…

Shell no/ Max no of Number of subshell


principle electrons
quantum no
n=1 2 1 (1s)
n=2 8 2 (2s,2p)
n=3 18 3 (3s, 3p,3d)
n=4 32 4 (4s, 4p, 4d, 4f)
 Each subshell consists of a number of orbitals in which electrons are placed.
 The number of orbitals in each subshell depends on the type of subshell.
 Atomic orbital:

Type of subshell Number of orbital

s 1 (s)
p 3 (px, py, pz)
d 5 (dxy, dyz, dxz, dx2-y2, dz2)
f 7

The Nature and Shapes of Atomic Orbital


a) s orbital

 lowest energy level


 shape:

 in terms of electron cloud density, it is the densest at the center and falls away as the
distance increases from the nucleus.
b) p orbital

 shape:
 axis of each p orbital is mutually perpendicular to each other
 3 orbital px,py,pz: equivalent in all and have the same content of energy except in
orientation.

c) d orbital

 five d orbitals- dxy, dyz, dzx, dx2-y2, dz2


 the fifth d orbital dz2, has a different shape.

 Each orbital can be represented by box. Hence, 2p orbitals are represented by:
2p:

px py pz
 An electron represented by an arrow ↑↓
 The relative energies of the orbitals of atom are represented by below diagram:

Electronic Configuration of Atoms


 Each orbital can hold a maximum of_________________.
 Electrons are arranged in orbitals according to a set of rules:
i. Aufbau Principle:

ii. Pauli Exclusion Principle:

iii. Hund’s Rule:

 Electronic configuration can be expressed in few ways:


i. Orbital term
ii. Electrons in boxes
 Example:

(a)3Li (b)20Ca
(i) 1s2 2s1 (i)

(ii) (ii)

(c) 7N (d) 16S


(i) (i)

(ii) (ii)

(e) 6C (f)22Ti
(i) (i)

(ii) (ii)

(g)24Cr (h)29Cu
(i) (i)

(ii) (ii)

Quantum Mechanical Model

Erwin Schrodinger, an Austrian physicist, introduced a new method of calculation known as


quantum mechanics or wave mechanics to solve the problems of finding electrons.

Quantum Numbers
 Each electron in an atom has a set of four quantum numbers.
a. Principal quantum number (n)
b. Angular momentum quantum number (l)
c. Magnetic quantum number (m)
d. Electron spin quantum number (s)

 This quantum numbers describe the energy level of an orbital and define the shape and
orientation of the region in space.
Principle quantum number (n)

 n, is referred as main energy levels also referred as electron shells.


 As n increases, the energy of the electron ___________and the electron is __________
from the nucleus.

Angular momentum quantum number (l)

 Each n (shell) includes one or more subshell.


 Each subshell has an angular momentum quantum number, l.
 For each n, the angular momentum no, l, can only range from ________________.

If n=1, then l=0

If n=2, then l=0 or 1

If n=3, then l=0, 1, or 2

 Different subshells are referred by numbers in mechanical model here.


Value of l 0 1 2 3…

Subshell notation s p d f…

Magnetic quantum number (m)

 Magnetic quantum no, m, determines the ___________________of the electron cloud


surrounding the nucleus.
 m can have values from –l to +l.

If l=0, then m=0

If l=1, then m=-1, 0 or +1

If l=2, then m=-2,-1, 0, +1 or +2

If l=3, then m=-3,-1, 0, +1, +2 or +3


 Table below shows the relationship between the values of n, l and m.
n l Subshell m No of Total no of
(0 to n-1) notation (-l to +l) orbitals in orbitals in main
subshell shell(=n2)

1 0 1s 0 1 1

2 0 2s 0 1 4
1 2p -1, 0, +1 3

3 0 3s 0 1 9
1 3p -1, 0, +1 ___
2 3d -2, -1, 0, +1, +2 5

4 0 4s 0 1 16
1 4p -1, 0, +1 3
2 4d -2, -1, 0, +1, +2 ___
3 4f _______________ ___

Electron spin quantum number (s)

 When a charged particle spins on its axis, a magnetic field is produced.


 An electron only spins in either _______________ or________________.
 Which can have only two possible values of s. s=+1/2 or s=-1/2
KEY TERMS

KEYTERMS DEFINITION

Region in space within which there is a high probability


Atomic orbital
(90-95%) of finding an electron in the atom

Atom A basic unit of matter

Electron in orbital term Electron is occupying a 3-D space around the nucleus

REFERENCES

1. Silberberg, M.S.,2009, Chemistry: The Molecular Nature of Matter and Change,


5th edition, McGraw Hill.
2. Zumdahl, S.S and Zumdahl, S.A.,2009, Chemistry, 8th edition, Brooks/Cole.
3. Blackman, 2008, Chemistry, 2nd edition, John Wiley.
4. Noorbani, A,2012, College Chemistry, IPTA Publications.

Common questions

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The quantum mechanical model provides a more accurate representation of atomic structures because it accounts for the probabilistic nature of electron positions and electron spin, rather than fixed orbits. Unlike the Bohr model, which assigns electrons to specific orbits, the quantum mechanical model uses mathematical functions (wavefunctions) to predict the probability distribution of electrons around the nucleus as described by orbitals. This model can explain complex atomic behavior and spectral lines that the Bohr model cannot, due to its incorporation of quantum mechanics .

Quantum numbers are critical in the quantum mechanical model as they describe the energy level, shape, orientation, and spin of electron orbitals. The principal quantum number (n) indicates the energy level and relative size of the orbital; the angular momentum quantum number (l) defines the shape of the subshell (s, p, d, f); the magnetic quantum number (m) describes the orientation of the orbital in space; and the electron spin quantum number (s) specifies the direction of electron spin. Together, these numbers determine how electrons are distributed across orbitals according to rules such as the Pauli exclusion principle and Hund's rule, thereby influencing chemical properties .

The principal quantum number (n) determines the number and energy of electron shells, where each shell can contain up to 2n² electrons. For example, the first shell (n=1) can hold up to 2 electrons, the second shell (n=2) can hold up to 8, and so on. This capacity influences the chemical properties of elements, as elements in the same group have similar valence shell configurations, dictating their reactivity and bonding behavior with other elements. Accordingly, elements with incomplete valence shells tend to be more reactive, seeking to fill or empty their outermost shell .

Electron spin, described by the spin quantum number (s), affects the electronic structure by allowing two electrons to occupy the same orbital as long as they have opposite spins (+1/2 or -1/2), which forms the basis for the Pauli Exclusion Principle. This principle states that no two electrons in an atom can have the identical set of all four quantum numbers. As a result, electron spin determines how electrons pair within orbitals, influencing atom stability and electronic distribution, thereby impacting atomic and molecular properties .

The quantum mechanical model, by defining electron arrangement through quantum numbers, allows prediction of chemical properties and periodic trends. Electron configuration, influenced by quantum numbers, determines an element's position in the periodic table and its chemical behavior. This guides understanding of trends such as electronegativity, ionization energy, atomic radius, and reactivity across periods and groups. Elements with similar valence shell configurations show analogous chemical properties, whereas varied configurations lead to distinct chemical trends across the periodic table .

Orbitals, as regions with a high probability of finding electrons, are critical for understanding chemical bonding. In covalent bonding, atoms share electrons to achieve stable electron configurations. The overlap of electron clouds from s, p, or hybridized orbitals in specific orientations allows for the sharing of electron pairs, establishing covalent bonds. This electron density overlap stabilizes molecules by maximizing attractive forces and minimizing repulsion, which is essential for explaining intermolecular interactions, bond strength, length, and the formation of molecules .

S, p, d, and f orbitals vary in shape and energy, greatly influencing electronic configuration and chemical behavior. 'S' orbitals are spherical, with the lowest energy, influencing basic properties like ionization energies. 'P' orbitals are dumbbell-shaped, offering stabilizing pi interactions, while 'd' orbitals, with more orientations, can participate in complex bonding such as d-pi back bonding in transition metals, affecting properties like color and magnetism. 'F' orbitals are highly complex, primarily important for lanthanides and actinides, impacting their unique chemistry. As a set, these orbitals accommodate more electrons, influencing how atoms interact and form compounds .

Subshells, defined by the angular momentum quantum number (l), determine the shape of electron clouds, such as spherical for s, dumbbell-shaped for p, and more complex shapes for d and f subshells. These shapes fundamentally influence how atoms bond and the three-dimensional arrangement of orbitals around a nucleus, which in turn dictates molecular geometry. Understanding these orientations is crucial for predicting molecular behavior in chemical reactions, influencing properties such as bond angles and polarity, essential for modeling and designing molecules in chemistry and biochemistry .

Magnetic quantum numbers (m) define the orientation of orbitals in space, ranging from -l to +l for a given angular momentum quantum number (l). This orientation determines the orbitals' directional properties, affecting how atoms approach each other and how bonds are formed during chemical reactions. Proper alignment of orbitals can maximize orbital overlap, increasing bond strength in covalent interactions and influencing reaction rates. This spatial orientation is critical for predicting the geometry and reactivity of molecules in complex chemical processes .

The Pauli Exclusion Principle states that no two electrons in an atom can have the same set of four quantum numbers; this restricts the electrons to have opposite spins in a single orbital. The Aufbau Principle dictates the order in which electrons fill sublevels by lowest energy first, such that s < p < d < f. Hund's Rule states that electrons will fill degenerate orbitals singly first, with parallel spins, before pairing up. Together, these principles ensure electrons fill the lowest available energy levels with proper spin alignment, achieving a stable, minimal energy configuration .

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