This preview shows pages 1–2. Sign up to view the full content.
This preview has intentionally blurred sections. Sign up to view the full version.
View Full Document
Unformatted text preview: 10.34 Fall 2006 Homework #4 Due Date: Monday, Oct. 2 nd , 2006 7 PM (Turn in hard copies in class or at the TA help session Monday evening.) Problem 1: Do problem 3.A.3 in Beerss textbook. Problem 2: The heat capacity of many organic molecules is dominated by the torsions or internalrotations about CC single bonds, but unfortunately this is a bit tricky to calculate. Often a good approach is to first find the eigenvalues {E} of this 1D Schrdinger equation: + V h 2 d 2 ( ) ( ) = E ( ) Eq.(1) 8 2 I d 2 where , which runs from 0 to 2 , is the dihedral angle between substituents on the two carbon atoms making the single bond, V ( ) is the potential energy associated with this torsional motion, and I is its effective reduced moment of inertia. With the { E }, one can then compute the heat capacity using the statisticalmechanics formula C T = k T 2 Eq.(2) ( ) ( B E j exp ( E j k T 2 E j exp ( E j k T B ) where: E = B ) and E 2 = exp ( E k T exp ( j...
View
Full
Document
This note was uploaded on 11/27/2011 for the course CHEMICAL E 10.302 taught by Professor Clarkcolton during the Fall '04 term at MIT.
 Fall '04
 ClarkColton
 Mole

Click to edit the document details