Welcome to the Chem3060 web

Contact Info

Prof. Thanh N. Truong

Office: INSCC 310

Email: Thanh.Truong@utah.edu

phone: 581-4301

TA Office Hours: 2-3pm in 1316 HEB Tuesdays and Thursdays

Textbook

Physical Chemistry by Engel & Reid (Starting from Chaper 12)

The same material is presented in the Quantum Chemistry & Spectroscopy textbook by Engel (Starting Chaper 1)

Since most students have the Physical Chemistry textbook, so I will refer to the materials from there.

Syllabus and others:

• CHEM_3060_Fall2008-syllabus.pdf: Click on the link to see the file.
• CHEM_3060_Homework_Guidelines.pdf:

• Library reserved material

Previous Exams

Fall93: Chem316_Midterm1_Fall93.pdf, Chem316_Midterm2_Fall93.pdf, Chem316_Midterm3_Fall93.pdf, Chem316__Final_Fall93.pdf

Fall05: Chem3030_Midterm1_Spr05.pdf, Chem3060_mid-term2__2005.pdf, Chem3060_2005-final-exam.pdf

Fall07: First_Exam_Answer_Key.pdf, Chem3090-Keys.pdf, Chem_3060_Fall_2007_finalexamkey.pdf

Previous Lecture Notes

Previous Homeworks

Exam Keys

Chem3060-F08-exam1-keys.pdf:

CHEM3060-F08-test2-keys.pdf

Lecture Notes

Week 7: Elizabeth_Black_Oct_22.pdf, KaitlynLe_10.22_notes.pdf Week 5: Lecture09.pdf

Hydrogen Atom

Viewing atomic orbitals

Week 4: Lecture06.pdf , Lecture07.pdf , Lecture08.pdf

Particle on a Sphere

Rigid Rotor; Rotational Spectra; Nice graphics!

Harmonic Oscillator; Classical versus Quantum Mechanics

The Particle in a Box - A QM Model for Translation

Week 3: Read Chapters 14 and 17, starting Chapter 15

The Quantum Mechanical Postulates

The Particle in a Box - A QM Model for Translation

Week 2: Read Chapter 13

The Schrödinger Equation

Operators

Week 1: Chapter 12 (Physical Chemistry Textbook), same as Chapter 1 (Quantum Chemistry & Spectroscopy textbook)

Overview of Classical Mechanics

Failures of Classical Mechanics

Homework Assignments

Week 15: (Due date Dec. 12)

Use Avisto and MOPAC for Problems 27.13 and 27.15. In the textbook, these problems request you to perform HF calculations. For your homework, you will use the approximated HF method existed in the MOPAC program. This will allow you to complete the calculations faster at the cost of the accuracy. The objective is for you to get a feeling for how computational chemistry is used to address 'REAL' chemical problems. When one needs more accurate results, he/she can use more accurate theoretical models such as HF, MPn, CI, DFT methods for it. Such calculations would take hours to days on larger computers.

Week 14: (Due date Dec. 5)

Use Avisto and MOPAC to confirm the orbitals for

1. NO molecule in the problem 24.19.

2. Butadiene Fig. 25.16 and your homework

3. Cyclobutadien from your homework.

4. Benzene from Fig. 25.17

Remember to use the run type 'Find the nearest local stable structure' for these problems.

Week 13: (Due date Dec. 1)

Use Huckel theory to solve for the pi orbitals and their energies for butadiene and cyclobutadiene. Sketch these orbitals.

HW-11-solution-F08.pdf

Week 12: (Due date: Nov. 24)

Assignment:Chapter 24: Problems: 5, 6, 8,9, 10,11,12

HW-10-solution-F08.pdf

Week 11: (Due date: Nov. 14)

Assignment: Chapter 22: 4, 5, 6, 11 Chapter 23: Questions: 4, 10, 11 Problems: 1, 2,

HW-10-solution-F08.pdf

Week 10: (due date: Nov. 7)

Recommendation: Chaper 21: Problems 12, 14, 16, 18, 20, 29

Assignment: Chapeter 21: Problems 15, 19, 23, 25

HW-9-solution-F08.pdf:

Week 9: (Due date: Friday, Oct. 31)

Recommendation: Chaper 21:

Assignment: Chapeter 21: Questions: 4 and 5

HW-8-solution-F08.pdf:

Week 8: (Due date: Friday, Oct. 24)

Recommendation: Chapter 21: Problems 3, 6, 8

Assignment: Questions on concepts: 1, 7, 9 Problems: 2, 9, 11

HW-7-solution-F08.pdf

Week 6: (Due date: Monday, Oct. 10)

Recommendation: Chapter 19: 1, 3, 8, 14 Chapter 20: 8, 12, 19, 22

Assignment: Chapter 19: 4, 15, 18 Chapter 20: 2, 6, 11, 15, 18

HW-6-solution-F08.pdf:

Week 5: (Due date: Friday, Oct. 3)

Recommendation: Chapter 18: Problems: 1, 3, 7, 13, 17, 24

Assignment: Problems: 4, 6, 9, 10, 18, 23, 27, Additional_problem_for_HW5.pdf

HW5-solutions-F08.pdf:

Week 4: (Due date: Friday, Sept. 26st)

Recommendation: Chapter 15: Problems: 2, 8, 12, 15

Assignment: Chapter 15: Problems: 3, 5, 9, 13, 16, 18, and

1. Plot the transmission probability for a particle tunneling through a barrier as functions of the mass, barrier width, and barrier height for a given energy (let assume E = 1 unit of energy)

HW4-solutions-F08.pdf

Week 3: (Due date: Friday, Sept. 19th)

Recommendation: Chapter 17: Problems: 2, 4, 7, 16

Assignment: Chapter 17: Problems: 5, 8, 10, 15, and the following problems:

1. Determine whether the following functions are aceptable or not as state functions over the internals. If not give the reason.

1. 1/x (0, %$ \infty $% )
2. %${ e}^{ -2x} sinh \: x $% (0, %$ \infty $% )
3. %$ {e}^{-x} cos \: x $% (0, %$ \infty $% )
4. %$e^x $% (%$-\infty $%, %$ \infty $% )

2. In previous chapter, we learned that if %$ \psi_n$% is an eigenfunction of the time-independent Schrodinger equation, then

%MATHMODE{ \Psi_n (x,t) = \psi_n (x) { e}^{ -i E_n t/ \hbar } }%

Show that if %$\psi_n$% and %$\psi_m$% are eigenfunctions of the time-independent Schrodinger equation, then the state

%MATHMODE{ \Psi_n (x,t) = C_n \psi_n (x) { e}^{ -i E_n t/ \hbar } + C_m\psi_m(x) { e}^{ -i E_mt/ \hbar } }%

satisfy the time-dependent Schrodinger equation.

HW3-solutions-F08.pdf:

Week 2: (Due date: Friday, Sept. 12th)

Recommendation: Chapter 13 of the Physical Chemistry textbook: Problems: 7, 10, 14, 16, 18, 22

Assignment: Problems #: 11, 13, 15, 17, 19, 21, 24

• Integrals.pdf: Useful integrals for quantum mechanics

HW2-solutions-F08.pdf:

Week 1: (Due date: Friday, Sept. 12)

Recommendation: Chaper 12 of the Physical Chemistry textbook: Problems #: 2, 4, 6, 13, 21

Assignments: Problems #: 1, 7, 11, 17, 20, and 23

HW1-solutions-F08.pdf: