STUDENT WORKSHEET OF PHYSICAL CHEMISTRY I: CHEMICAL STRUCTURE & BONDING

MOLECULAR ORBITAL THEORY

(MOT)

Basic Competence

: Understanding chemical bonding and its use for molecular

structure determination

Indicator

: 1. To describe the formation of molecular orbital based on the

2.
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4.
5.

principle of LCAO
To distinguish the orbital bonding, non bonding, and antibonding
To write electron configurations in the molecular orbitals
To determine the energy level and frequency of electronic
transitions using the method of Huckel
To describe the current developments of molecular orbital
theory.

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WORKSHEET 009

1. a. Jelaskan berdasarkan teori orbital molekul, dapatkah Anda menemukan orbital-orbital

atomic dalam suatu molekul.
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Lalu apa yang dimaksudkan dengan orbital molekul dan apa hubungannya dengan
kerapatan elektron dalam suatu molekul? Jelaskan!
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Jelaskan posisi orbital molekul, apakah terlokalisasi atau terdelokalisasi dan apa yang
dimaksudkan dengan kedua istilah tersebut.
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b. Based on the literature, the formation of chemical bonding is related to energy stability.
To further clarify, draw the potential energy curve of a molecule. Complete the curve
with notation of the distance of separation between the two cores R, the equilibrium
bond length Re, and the bond dissociation energy De. Then explain the meaning of the
curve.

IGMA SANJAYA & DIAN NOVITA

STUDENT WORKSHEET OF PHYSICAL CHEMISTRY I: CHEMICAL STRUCTURE & BONDING

Fig. 1. a molecular potential energy curve.

The explanation of the curve:

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2. a. Are you able to find the molecular ion of
? In other words, is Hydrogen ion (proton)
to form a chemical bonding with another Hydrogen ion (proton) to form a molecular ion
of
Explain why this might be happening!
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Are you able to find The molecular of . In other words, weather the hydrogen atom
tend to form a chemical bonding with another Hydrogen atom, explain the answer.
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Based on the above, please explain what caused the attractive forces of atoms in
chemical bonding.
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Based on this, try to predict whether you can make
-molecular ion. Then explain the
reason you thought so.
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3. a. Draw two thick black dots describing the position of proton A and proton B. Place a small
dot of electron in any place around the two thick black dots. When you drag a force line
from each protons to the electron, where the direction of motion of each proton relative
to one another.

IGMA SANJAYA & DIAN NOVITA

STUDENT WORKSHEET OF PHYSICAL CHEMISTRY I: CHEMICAL STRUCTURE & BONDING

Repeat this case by putting the electron in different locations, i.e. on the right location,
on the left location, or in location between of the two protons.

Describe where the location of electron so that their interactions caused both hydrogen
atom cores or protons move closer with each other.
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Summarize the position of electron density distribution in chemical bonding.
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4. a. Draw a chemical bonding model of hydrogen molecular ion with two thick black dots
mark each hydrogen nucleus A and B which is connected by the line R. Electron
positioned at the location between the two hydrogen nuclei which connected to point A
with rA line and to point B with rB line.

When a force drown from point A to the electron and also from point B towards the
electron, then explain what the point A (the core of the first hydrogen atom) and point B
(the core of the second hydrogen atom) will toward each other or away from each other.
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IGMA SANJAYA & DIAN NOVITA

STUDENT WORKSHEET OF PHYSICAL CHEMISTRY I: CHEMICAL STRUCTURE & BONDING

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b. Write down in detail the Schrodinger equation to solve the case on the model 4.a.
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c. Explain why the equation resulting in 4.b. is difficult to be solved.
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d. Explain what Born-Oppenheimer assumed to resolve cases 4.a. which can be formulated
in the 4.b.
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e. What is the formulation of equation developed by Born-Oppenheimer as a result of the
simplification of the Schrodinger equation obtained from section 4.b.
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IGMA SANJAYA & DIAN NOVITA