Introduction to Quantum Chemistry by Dr. Patrick O'Malley

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來自 University of Manchester 的課程

物理化学导论

258 個評分

University of Manchester

物理化学导论

258 個評分

Chemical reactions underpin the production of pretty much everything in our modern world. But, what is the driving force behind reactions? Why do some reactions occur over geological time scales whilst others are so fast that we need femtosecond-pulsed lasers to study them? Ultimately, what is going on at the atomic level? Discover the answers to such fundamental questions and more on this course in introductory physical chemistry. The course covers the key concepts of three of the principal topics in first-year undergraduate physical chemistry: thermodynamics, kinetics and quantum mechanics. These three topics cover whether or not reactions occur, how fast they go and what is actually going on at the sub-atomic scale.

從本節課中

Quantum Chemistry I

This module explores Planck's quantum of energy, particle nature of light, wave nature of matter, Heissenberg's uncertainty principle, the Schrödinger equation, free particle & the particle in a box, Born's interpretation of the wavefunction, and normalisation of the wavefunction.

Introduction to Quantum Chemistry by Dr. Patrick O'Malley3:27

Planck's Quantum of Energy5:53

Particle Nature of Light11:22

Particle Nature of Light - Example5:01

Wave Nature of Matter10:43

與講師見面

Patrick J O'Malley, D.Sc
Reader
Chemistry
Michael W. Anderson, FRSC
Professor of Materials Chemistry
School of Chemistry
Jonathan Agger, MRSC
Lecturer and Deputy Director of Outreach
Chemistry

Hi there.

My name is Patrick O'Malley, and I am your

teacher for the quantum chemistry section of this course.

This week, we introduce quantum mechanics and its relevance to chemistry.

Quantum mechanics essentially began with the realization that

all moving particles or objects have wavelike characteristics.

For large everyday objects, the

wavelength characteristics are minuscule and undetectable.

But for microscopic particles such as molecules, atoms and

electrons, they're significant and are key to understanding their properties.

In a confined space, wavelength phenomena,

such as constructive and destructive interference, means

only certain wave forms or wave functions are allowed, each having a unique energy.

The system can only exist in certain defined energy states.

So, like a ladder, we can go from the lowest energy state to the, on the lowest

rung, to the highest energy state on the top rung, only in discrete steps or jumps.

Transitions between these states requires a precise amount of energy, or

using our ladder analogy, the exact spacing between the ladder rungs.

Quantum mechanics itself was discovered at the beginning of the 20th century, due to

a number of ground-breaking discoveries, and we

start our course by introducing these key discoveries.

Okay, so what are we going to be doing this week?

Well, we'll start with Max Planck, who's often referred to

as the father of quantum mechanics, because he was the

first to show that energy absorbed or emitted by bodies

was not continuous but composed of discrete packets or quantum.

Following on from this, we come to Albert Einstein who, based on his analysis of the

photoelectric effect, was the first to propose that

energy can be described as particle-like in behavior.

We then move on to Louis de Broglie, who proposed that all moving particles exhibit

wavelike characteristics, and there we have the foundation

of the wave-particle nature of matter and energy.

Next we progress to Erwin Schrodinger, who

developed these ideas into his famous wave equation.

Here, we will try to remove some of the mystique around this equation

by showing that you can decompose it into some simple components and assumptions.

We then move on apply the Schrodinger equation to

some simple systems, such as the part in the

box, and we can clearly see then how the

quantization of energy arises due the imposition of boundary conditions.

We also describe the contributions of Max Born, who

showed that the square of the wave function can be

interpreted as a probability density, and hence it allows

us to interpret the way function solutions alter Schrodinger's equation.

In addition to the video presentations, you also have the opportunity to take some

online quizzes where you can actually test

your performance against our students here at Manchester.

And there's also a formative quiz for you to compete and test yourself.

Okay?

So, you've got a busy week ahead, and I am looking forward

to hearing your views and thoughts on quantum chemistry in the discussion forum.

Have fun, and I'll catch up with

you again at the

start of next week.

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