5_04_f08_ps2 - c. Follow the same procedure for the carbon...

Info iconThis preview shows pages 1–3. Sign up to view the full content.

View Full Document Right Arrow Icon
MIT OpenCourseWare http://ocw.mit.edu 5.04 Principles of Inorganic Chemistry II Fall 2008 For information about citing these materials or our Terms of Use, visit: http://ocw.mit.edu/terms .
Background image of page 1

Info iconThis preview has intentionally blurred sections. Sign up to view the full version.

View Full DocumentRight Arrow Icon
Chemistry 5.04 (F08) Problem Set 2 Due Wednesday, 1 October 1. Do Problem 7.1, p. 201 in Cotton (3 rd ed). 2. Do Problem 6.1, p. 129 in Cotton (3 rd ed), and then solve the appropriate secular determinant to find the energies of the 10 MOs spanned by the SALCs you have derived. 3. Construct the MO diagram for the molecule shown below and assign the photoelectron spectrum. ENERGY / eV 4. A Hückel analysis may also be used to describe σ -bonding. Consider the three center bond of the Al 2 ( µ -CH 3 ) 2 unit in “trimethyl aluminum” which exists as the dimer [Al(CH 3 ) 3 ] 2 in the gas phase and nonpolar solvents. Al C H 3 Al H 3 C CH 3 CH 3 H 3 C H 3 C
Background image of page 2
a. Using the 6 σ orbitals shown below, determine the basis for the four Al σ -bonds. ! 4 ! 5 ! 6 ! 1 ! 3 ! 2 C C Al Al b. Construct the SALC’s using the projection operator method.
Background image of page 3
This is the end of the preview. Sign up to access the rest of the document.

Unformatted text preview: c. Follow the same procedure for the carbon -bonds. d. Determine the energy levels of the molecular orbital diagram. e. Give the explicit expressions for the six molecular orbitals of the Al 2 ( -CH 3 ) 2 unit. 5. Consider 1,3,5-hexatriene and benzene. a. For the former construct the MO diagram; calculate the delocalization energy; and construct the molecular orbital eigenfunctions. b. 1,3,5-hexatriene and benzene are limiting cases for a more general molecular orbital system in which the interaction energy for the terminal orbitals, 1,6 , is finite and not equal to the interaction energy between adjacent orbitals ! 1 ! 2 ! 3 ! 4 ! 5 ! 6 c. Determine the molecular orbital energies of the general C 6 system (i.e. 1,6 i,j (i,j 1,6) and show that in the limiting regimes of this general case, the MO diagrams. For 1,3,5-hexatriene and benzene are obtained. d. Draw a correlation diagram....
View Full Document

This note was uploaded on 11/27/2011 for the course CHEMICAL E 20.410j taught by Professor Rogerd.kamm during the Spring '03 term at MIT.

Page1 / 3

5_04_f08_ps2 - c. Follow the same procedure for the carbon...

This preview shows document pages 1 - 3. Sign up to view the full document.

View Full Document Right Arrow Icon
Ask a homework question - tutors are online