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Chemistry 549 Spring, 2004 Problem Set 4 Due Monday, April 12 Read Chapter 10 and Appendices 1 and 2. 1) Problem 10.6 in the text, 2) Write a Mathematica program to calculate the rate constant for a general collinear reaction of the form A + BC products Your program should have the following sections in it: 1. A table of physical constants that you can use later (kB, h, etc) and relevant conversion factors (wave numbers to joules, etc). 2. A section containing the physical properties of the reactants and transition state (temperature, masses, frequencies, bond lengths, etc.) Do not input the moments of inertia; the program should calculate them from the masses and bond lengths. 3. Calculate and print the deBroglie lengths and the translational partition functions. Print the ratio of translational partition functions of the transition state to those of the reactants. 4. Calculate and print the moments of inertia and the rotational partition functions. Print the ratio of rotational partition functions for the transition state to those of the reactants. 5. Calculate and print all the vibrational partition functions. Print the ratio vibrational partition functions of the transition state to those of the reactants. 6. Calculate and print the rate constant, k(T), for F+H2 at 300K, and express your answer in liter/mol/sec. You may use the values in the textbook to check your work. Note that the text puts the rotational symmetry factor into the quantity L. 3) Generalize the previous program to allow you to calculate and plot k(T) for a range of temperatures. This is easier than it sounds. What you do is set up the program without defining the value of T. Then at the end of the program you add the instructions similar to Do@Print@"T= ", T," k= ", rateconstantD, 8T, Tmin, Tmax, Tinc<D Plot@rateconstant, 8T, Tmin, Tmax<, PlotRange AllD Here Tmin is the lower end of the temperature range, Tmax is the upper end, and Tinc is the step size that you want printed out. Use this program to evaluate and plot the rate constant for F+H2 between 300 and 500K in steps of 100K. 4) Use your program to calculate the isotope effect for the reaction Cl+H2 . The potential parameters are taken from J. Chem. Phys. 90, 3110 (1989), Table VII. I have copied the necessary information below. The atoms are labeled as A+BC. Transition state property RAB (Bohr) RBC (Bohr) Vbarr (kcal/mol) h str (cm-1 ) h bend (cm-1 ) Cl+H2 2.64 1.88 7.70 1362 712 Cl+D2 2.64 1.88 7.70 987 505 Note that the listed barrier height, Vbarr, does not include the zero point energy of the reactants or the transition state. You have to do that yourself. k Calculate H2 for 200 < T < 600 K. k D2 5) Normal mode analysis of linear triatomic molecules: 1. Write a Mathematica program to solve for the frequencies and normal modes of a symmetric triatomic molecule, ABA, and compare your results with the values derived in lecture. To do this, you need to read how Mathematica handles matrices, determinants, etc. If you are unable to get the program to do everything in one run, it is OK to re-enter the results from the frequency analysis in order to solve for the normal modes. 2. Derive the matrix equation needed to solve the previous problem for an asymmetric triatomic molecule, ABC. You need to specify two force constants and three masses. 3. Write a Mathematica program to solve for the frequencies and normal modes of the asymmetric triatomic molecule.

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Ill. Chicago - CHEM - 549

Chemistry 545 Spring 2004 Problem Set 3 Due Wednesday, February 25 Reading assignment: Finish reading through Section 8.1 1. Do problem 5.2 Note that in part (b) there is a typographical error: The left hand side of each of the equations is a time de

Ill. Chicago - CHEM - 112

New Procedure for "Chemical Proportionality" [INSERT FOR PAGE 45-47] Part II: Dissolution or Chemical Reaction? What do your Observations Mean? (Group Work) 1. Using a spatula, add a small amount of sodium carbonate to about 10 mL of water. Swirl the

Ill. Chicago - CHEM - 112

Uncertainty in calculated answersThe uncertainty inherent in the measurement is carried over into any value we calculate. The uncertainty in a calculated answer cannot be any greater than the least certain of the numbers we use in the calculation. F

Ill. Chicago - CHEM - 222

Ill. Chicago - CHEM - 343

Ill. Chicago - CHEM - 343

CHEM 343 March 12, 2004Agenda - Final Exam & Grading - Report - Non-linear Curve Fitting *Note that there is still discussion section next week for the next rotationFinal ExamTime: 6 8 p.m. Date: May 5 (Wed) or May 6 (Thurs)?GradingA = 85% -

Ill. Chicago - CHEM - 343

LOW PRESSURE EFFUSION OF GASESThis experiment will introduce you to the kinetic properties of low-pressure gases. You will make observations on the rates with which selected gases and gas mixtures effuse through a pinhole with a diameter that is sma

Ill. Chicago - CHEM - 343

CHEM 343 April 16, 2004Agenda - Final Exam -Mass SpectrometryFinal ExamTime: 6 8 p.m. Date: May 6 (Thurs) Room: TBD (probably in SES)Mass Spectrometry ConceptsIonizationIf excess energy is absorbedm/z = 57Sample MW = 58Parent Ion m/z =

Ill. Chicago - CHEM - 343

Ten Common Grammar and Punctuation Mistakes(Adapted from Michael Alley, "The Craft of Scientific Writing", Prentice-Hall, New York, 1987) 1. Subject Verb Disagreement Example of obvious mistakes: The flash photolysis experiment don't work good. The

Ill. Chicago - CHEM - 343

Commands (typed) are italicized Icons (clicked) are boldChem 343 NMR RotationOperating Procedure for Mercury 300Login: chem343 Password: chem343 Open Vnmr softwareSample loading:e automatically ejects the blank solvent tube resting in the mach

Ill. Chicago - CHEM - 343

1UV/Visible Spectra of Polymethine Dyes(Developed by Luke Hanley)I. Introduction In other lab courses you have measured the ultraviolet/visible (UV/Vis) spectra of various compounds. From these courses, you know that the UV/Vis spectrum of a com

Ill. Chicago - CHEM - 343

Flash Photolysis of Benzophenonedeveloped by Luke Hanley revised by Audrey Dell Hammerich 1/22/06, Snee on 2/3/09 I. Introduction The study of chemical kinetics is central to many areas of chemistry and biochemistry. One of the most powerful methods

Ill. Chicago - CHEM - 343

Ill. Chicago - CHEM - 343

1UV/Visible Spectra of Polymethine Dyes(Developed by Luke Hanley)I. Introduction In other lab courses you have measured the ultraviolet/visible (UV/Vis) spectra of various compounds. From these courses, you know that the UV/Vis spectrum of a com

Ill. Chicago - CHEM - 343

Ill. Chicago - CHEM - 343

Ill. Chicago - CHEM - 343

Flash Photolysis of Benzophenone(developed by Luke Hanley)I. Introduction The study of chemical kinetics is central to many areas of chemistry and biochemistry. One of the most powerful methods in studying the kinetic behavior of chemical reactions

Ill. Chicago - CHEM - 343

Photo-physics & Molecular SpectroscopyCHEM 343 Fall 2008 TA : Anjan RoyPrepared by Aashani Tilakratne and Anjan Roy1 Introduction : What is fluorescence1Fluorescence1. Molecules absorb light to get to excited states3* 2. Then they emit li

Ill. Chicago - CHEM - 343

Chemistry 343 Spring 2007 Dr. Yoshitaka Ishii Thermodynamic LabWorks Experiments: Thermochemistry and Gas Laws During the first two days of physical chemistry laboratory, you will perform four relatively simple thermodynamic experiments from a packa

Ill. Chicago - CHEM - 343

II. Experimental Procedure (1) Set up all the required parameters in the "JOEL GC-Mate" software. (Dr. Art Anderson will instruct students on how to do this). The set up uses a sample called perfluorokerosence or "PFK", which is ionized into various

Ill. Chicago - CHEM - 343

Physical Chemistry Lab Chem343 Lecture 5 (10/24/08) UV/Florescence Quantum QuizAnnouncement Pre-lab Discussion Class Next Friday.- Please download class material Quiz at the end of the class Lab Report for Rot 3 is due next Mon/Tue1Be a

Ill. Chicago - CHEM - 343

Chem 343 Quiz 2 Oct 24, 2008 Lab Section (Circle One) M/W 8 AM M/W 4 PM T/R 8 AMYour Name T/R 11AM Point ( T/R 2PM. /7)1. Using = -2.5 +Ajnj and the table (right), predict the 13C shifts of CD for the following compound. CAH3-CBH-CDH2-CEH3 | 1

Ill. Chicago - CHEM - 343

Physical Chemistry Lab Chem343 Lecture 7 (11/21/08) Class Schedule/Grading Flash PresentationScheduleFinal Exam Schedule Dec 9 (Tue) From 6 PM (2hours) at 130 SES; 60-70 % ismultiple choice questions Final PowerPoint Presentation The last da

Ill. Chicago - CHEM - 343

Quiz 4 Chem343 Chem 343 Quiz 4 Dec 5, 2008 Your Name .Lab Section (Circle One. If you do not, please get -1 Point ) Point ( /20) M/W 8 AM M/W 4 PM T/R 8 AM T/R 11AM T/R 2PM Practice quiz for the Final. (Do not expect the same questions! You will ge

Ill. Chicago - CHEM - 343

CHEM 343 Feb. 27th, 2004Agenda - Definition of Error, Average, S.D. - Least Squares - Propagation of UncertaintyError Error does not mean mistake in science, but relates to the uncertainty in EVERY measurement Two types of error 1) Systematic er

Ill. Chicago - CHEM - 222

CHEMISTRY 222: Analytical Chemistry Summer 2007, MWF 12:00-1:05 PM, 309 BH Dr. George A. Papadantonakis Email: gpapad3@uic.edu, Telephone: 312-413-1516 Office 4436 SES, Office Hours: MW 2:00-3:00 p.m. Website: http:/www.chem.uic.edu/papadantonakis/ch

Ill. Chicago - CHEM - 340

Chemistry 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 HOMEWORK SET No. 1 This homework set is due on Wednesday, January 23, 2008 1. (4 points) For O2 give (a) the molecular weight, (b) the molecular mass, (c) the

Ill. Chicago - CHEM - 340

CHEM 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 Homework Set No. 4 Due on Wednesday, February 13, 2008 Do the following problems: Chapter 2: 2.3, 2.8, 2.14, 2.16, 2.19, 2.20, 2.21, 2.22, 2.25, 2.31, 2.32, 2.33 C

Ill. Chicago - CHEM - 340

CHEM 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 Homework Set No. 6 Due on Friday, February 28, 2008 Do the following problems: Chapter 5: 5.2, 5.3, 5.4, 5.5, 5.6, 5.7, 5.8, 5.10, 5.13, 5.14, 5.16, 5.18, 5.21, 5.

Ill. Chicago - CHEM - 340

Chemistry 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 HOMEWORK SET No. 2 This homework set is due on Wednesday, January 30, 2008

Ill. Chicago - CHEM - 340

CHEM 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 Homework Set No. 5 Due on Wednesday, February 20, 2008 Do the following problems: Chapter 4: 4.1, 4.2, 4.3, 4.18, 4.19, 4.20,4.21, 4.23, 4.24, 4.29, 4.31, 4.32, 4.

Ill. Chicago - CHEM - 340

CHEM 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 Homework Set No. 7 Due on Wednesday, March 12, 2008 Do the following problems: Chapter 6: 1 13, 17-19, 21,22, 26-30, 38, 41, 44,45 Please try all problems by your

Ill. Chicago - CHEM - 222

CHEMISTRY 222: Analytical Chemistry Spring 2007, TR 12:30-1:20 PM, 230 SES Dr. George A. Papadantonakis Email: gpapad3@uic.edu, Telephone: 312-413-1516 Office 4436 SES, Office Hours: TR 11:00-12:15 p.m. or by appointment. Textbook: Daniel C. Harris,

Ill. Chicago - CHEM - 340

Chem 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 Homework Set No. 9 Due on Monday April 21, 2008 Do the following problems: Chapter 9: 9.2, 9.4, 9.5, 9.6, 9.8, 9.9. 9.12, 9.15, 9.18, 9.22, 9.28, 9.29, 9.32, 9.34,

Ill. Chicago - CHEM - 340

Answers to Questions on Concepts Chapter 1Q1.1) The location of the boundary between the system and the surroundings is a choice that must be made by the thermodynamicist. Consider a beaker of boiling water in an airtight room. Is the system open or

Ill. Chicago - CHEM - 222

Teaching AssistantsNAME Kongthong Thongkhao-on Adam Zachary Sujeewa Piyankarage Doug Pleticha e-mail kthong2@uic.edu azacha1@uic.edu spiyan2@uic.edu fpleti2@uic.edu Office Telephone 413-5082 996-8649 413-5082 996-8811 Office Room 4323 SES 5115 SES 4

Ill. Chicago - CHEM - 340

Ill. Chicago - CHEM - 340

Physical Chemistry is the study of the underlying physical principles that govern the properties and behavior of chemical systems A chemical system can be studied by microscopic (based on the concept of molecules and macroscopic (large-scale proper

Ill. Chicago - CHEM - 340

Chem 340 Physical Chemistry for Biochemists I Dr. George A. Papadantonakis Spring 2008 Homework Set No. 10 Due on Monday April 30, 2008 Do the following problems: Chapter 8: 4, 7, 9, 16, 17, 18, 20, 22, 31, 32 Chapter 11: 2, 3, 4, 6, 7, 10, 11, 12, 1

Ill. Chicago - CHEM - 554

Today, I would like to begin a consideration of iron proteins. Iron proteins have been classified in a number of ways including the type of iron coordination and the function. The handout figure indicates a classification based on the type of the iro

Ill. Chicago - MATH - 165

Math 165 Spring 2009 Assignments|Home | Description | Syllabus | Assignments | News | Calculator | Notes | Samples | Assignments January 12, 2009 - February 13, 2009 Print the pdf version of Assignments: assign1.pdf Additional Problems and Examples

Ill. Chicago - MATH - 310

MATH 310SyllabusFall 2003CLASS TIME: MWF 12:00 12:50 in 308 Burnham Hall from 08/25/2003 to 12/12/2003. INSTRUCTOR: Anton Leykin Office: 716 SEO Phone: (312) 413-9578. E-mail: leykin@math.uic.edu URL: http:/www.math.uic.edu/~leykin CLASS WEBPA

Ill. Chicago - MATH - 431

MATH 431Written Homework 1 SolutionRadford02/01/091. Page 268, number 4: (20 points) Let S = {(n, n) | n Z} (7). Then S = as (0, 0) S. Suppose (m, m), (n, n) S. The calculations (m, m) - (n, n) = (m - n, m - n) S (4) and (m, m)(n, n) = (

Ill. Chicago - MATH - 165

Algebra Symposium: Optimizing Fuel Consumption To view animations: http:/www2.math.uic.edu/~lewis/math165/asavgcost.htm. The Problem It is asserted that if you drive a car at constant speed; the number of miles per gallon will first increase and then

Ill. Chicago - MATH - 210

Name:MATH 210 Quiz 1 (Sep 2, 2005) no calculators!(1) Which of the points A(1, 2, 3), B(3, 1, 3), C(4, 1, 0) is closest to the origin?- Compute: AB = - What is the length of the vector AB? (2) Let - = 1, 2, 0 , - = a, b, c . Find u v - -

Ill. Chicago - MCS - 320

Lecture 31: Polynomials and Curve Fitting.-% saving/loading the data (revisited)M = [1 2 3 4 5];openvar('M', M);save('h:\data');clearload('h:\data');openvar('M', M);diary off% a polynomial is presented by the array of its coefficients% c

Ill. Chicago - MCS - 260

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Ill. Chicago - MCS - 260

This is just some text, to test quiz 9a.

Ill. Chicago - MCS - 320

% Most matrices occurring in practice% have special structure.% 1. Sparse Matrices% MATLAB has facilities for handling sparse% matrices, matrices with few nonzero elements.a = sparse(4,6,3,10,10);% we defined a 10-by-10 matrix with one% nonzer

Ill. Chicago - MCS - 563

MCS 563 Spring 2009Analytic Symbolic ComputationFriday 16 JanuaryHomotopies and Predictor-Corrector MethodsIn this lecture we dene homotopies to solve systems based on their total degree, given another application, and explain path following m

Ill. Chicago - MCS - 471

cz gY a ` " ' Y az } ` `"z" } `"z x"z | " a "z Y c z ` x "z ` | `} ` a fvf(6f%"~}vV~v&P60Vjvvvgg~&P%~}g&a`b{4eb"(bf0jvVx (Pm ~&' vj X%@8vVxv} { " az ' ` x"z Y" x x" | " x} x" z { a ' "z x" a

Ill. Chicago - MCS - 471

%E! I7y@% C A %( @ C! A A(!( w A(! % $(! 0 ( C% (! @% w E ! A $ (! A 8 0 A% A C '&'"%)X&b&71"B(7By'7#'B74'z7y'vyII'bf1I"C"ADr7GD(t'D&4 g g m g v ut n ' n n x } } }'|'|&Hd#x|6 p o d p q o | e d g

Ill. Chicago - MCS - 563

MCS 563 Project ThreeAnalytic Symbolic Computationdue 11/24 or 12/8/2004, at 1PMThe third project is individually assigned. Topics are listed below. For each topic we list at least one paper and formulate questions. This sheet confirms and clar

Ill. Chicago - MCS - 320

% The above command will write everything what appears on screen to the filedisp(get(0, 'Echo')offset(0, 'Format', 'short')set(0, 'FormatSpacing', 'loose')feature('EightyColumns', 0);% matlec.txt on the directory.% Note that the file produced

Ill. Chicago - MCS - 320

% MATLAB Lecture 5 Wednesday 16 November 2005% 1. Spheres and Cylinders[x,y,z] = sphere(10);size(x)ans = 11 11mesh(x,y,z)[x,y,z] = sphere(100);mesh(x,y,z)% another sampling primitive is cylinder:[x,y,z] = cylinder(30);mesh(x,y,z)

Ill. Chicago - MCS - 320

% Problems with computer projectors turned this% lecture into an exercise session.% We illustrated the use of functions in functions% with the Trapezoidal Rule, implemented by the% function traprule:help traprule % see comments The functio

Ill. Chicago - MATH - 165

Math 165: Elasticity x If a quantity x is changed by an amount x, the relative change in x is the ratio . x x The percentage change in x is 100 . Note that there are no units for the ratio of two x quantities with the same units. Suppose the quantity

Ill. Chicago - HON - 201

Argument Principle Zeroes and Poles For the moment, we shall consider a function f (z) analytic in the punctured disk Dz0 ,R = {z |0 < |z z0 | R } . Then f (z) =n= nan (z z0 ) , 1 2i f () ( z0 )n1an = nd.Cz0 ,r If f (z) = n=0 an (z

Ill. Chicago - MATH - 165

Math 165 Spring 2009: Special Assignment Two Due Wednesday, March 11, 2009, in Lecture The Rules This assignment should be typed. For suggestions on typing, see http:/www2.math.uic.edu/~lewis/math165/165type.pdf Special Assignment Two is a GROUP PR

Ill. Chicago - MATH - 165

Math 165 Spring 2009 Assignments|Home | Description | Syllabus | Assignments | News | Calculator | Notes | Samples | Assignments January 12, 2009 - February 13, 2009 Print the pdf version of Assignments: assign1.pdf Additional Problems and Examples

Ill. Chicago - MATH - 165

Math 165 Spring 2009: Special Assignment One Due Wednesday, February 11, 2009, in Lecture The Rules This assignment should be typed. For suggestions on typing, see http:/www2.math.uic.edu/~lewis/math165/165type.pdf Special Assignment One is a GROUP