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# Ma P Chem 11/23, 11/30, 12/2, 12/4, 12/7 CHEM 345

Towson

GPA 3.37

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This 4 page Class Notes was uploaded by Kayli Antos on Friday December 11, 2015. The Class Notes belongs to CHEM 345 at Towson University taught by Dr. Ma in Summer 2015. Since its upload, it has received 13 views. For similar materials see Physical Chemistry in Chemistry at Towson University.

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Date Created: 12/11/15

P Chem Ma Fall 2015 Reaction Orders Reaction Order Linear Plot Rate Law Units Of Rate Constant zero C vs t dC k Ms first Inc vs t amp kc s second I 1C vs t amp kcz Ms second ll lnCVCB vs t kCACB Ms Determine The Order And Rate Constant IL Plot The Data 9 Plot of graph of time vs concentration the natural log of the concentration and one over the concentration 9 Whichever graph shows a straight line that determines the order 9 Use the equation of this line y mx b to find k which is the slope 1L Determination Of The Initial Rate 9 All rate laws are represented by v ka or log v log k m log C e Plotting log v vs log C gives a straight line with slope m which is the order of the reaction IL For Two Reactants 9 Use the rate law v k Am 8 9 Find the order of A by keeping the initial concentration of B constant while changing A Then set up a ratio to find m Do the same with Bn The Relationship Between Thermodvnamics Equilibrium And Kinetics For An Elementary Reaction 0f k1 quotll A B lt gt P k 1 d d d IL v dt 1 if k1AB k1P iL At equilibrium v O and k1AeBe k1Pe l 5 Pe K equilibrium constant k 1 AeBe The Temperature Dependence 0f Rate Constant vkCm E Arrhenius Equation k Ae39 k rate constant A preexponential factor prefactor frequency factor EA activation energy k and A have the same units because the units of the e term will cancel Ink 2 7 lnA ymXb The plot of In k vs 1T gives a straight line with the slope EAJR Inez 94 k1 R T2 T1 TransitionState Theory thih Fit p p eeeeeeee It The reactants will form a high energy transition state before forming products K1 kit A B lt gt ABf gt P the first arrow is a rapid equilibrium and the second arrow is the rate limiting step ktMBt 1 AB Can replace ABi since it s hard to measure kafA B kA B k k1 K5F K 2 AT and k 2kg h AGt then k Ri e kB1381 x 1o23 JK h 6626 X1O3934 JS free energy of activationactivation Gibbs energy AGi GTs GR kBT E E Eynng Equation k 2 Te RT 6 R Quantum Mechanics quotIL 1L 1L IL teases 1L Classical vs Quantum Mechanics Classical Mechanics mathematical study of motion of macroscopic objects Quantum Mechanics mathematical description of the dual particlelike and wavelike behavior and interaction of matter and energy Energy is not continuous but quantized If AEltltkBT classical mechanics If AEszT or gtkBT quantum mechanics Quantum Mechanics The Schrodinger Equation HQ 2 Eli Fl Hamiltonian operatortotal energy operator energy operators work by a set of rules that convert some function into some other function LlJ wave function E total HTU T i 6 2 6 2 6 2 kinetic ener o erator m mass h i 2m 6x2 632 622 gy p 2n 7 U potential energy operator U potential energy function Basic Quantum Mechanical Systems Particle In A OneDimensional Box it IL it A box of length L in the x direction At 0 and L U and LlJx 0 At a point between 0 and L U O Hippo E Px A P12 d2 T 27nde IL Wx B cos bx A sin bx Boundary Conditions ll F When x O LlJx 0 Wm BCOSOAsin0 B 0 so LlJx 0 because the sin 0 O and the cos 0 1 When x L LlJx O LPL 0 AsinbL A95 0 and b 76 O The sin bL Oso bL nTr n 1 2 3 b L LPx A sin x The Probability 0f Finding The Particle Between x And x dx 4 eeeeeee W x Wxdx the first term in the complex conjugate if Wm Woodx 1 I A2 sin2 x dx 1 sin Zax 4a Wnx sin En PnOC 2m dx2 h2 d d 2 mt 51n x E P x 2m dxdx L n n h2 2 1177 1177 LLL x f51n2axdx23 c sin En l nx 2m 112712 P12 nzh2 E L2 8mL2 AE192 h H pix C C 3 X 108 ms Harmonic Oscillator And Infrared Spectroscopy eeeeeeee Two particles are connected with an ideal spring The reduced mass M M m1m2 A h2 d2 ZW Potential Energy Function for a Harmonic Oscillator 7 U kx2 h2 d2 1 Schrodinger Equation Ea Ekxz Wnx Enll nx En n hi0 n0 1 2 3 v1 k 0 271 vo fundamental vibrational frequency of the oscillator 4L zero point energy E0 hvo

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