Lecture_7 - MIT OpenCourseWare http/ocw.mit.edu 5.04...

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

View Full Document Right Arrow Icon

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

View Full DocumentRight Arrow Icon
This is the end of the preview. Sign up to access the rest of the document.

Unformatted text preview: 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 . 5.04, Principles of Inorganic Chemistry II Prof. Daniel G. Nocera Lecture 7: Hückel Theory 2 (Eigenvalues) The energies (eigenvalues) may be determined by using the Hückel approximation. ψ A 1g = 1 6 ( φ 1 + φ 2 + φ 3 + φ 4 + φ 5 + φ 6 ) E ψ A 1g ⎞ ⎟ ⎠ ⎛ ⎜ ⎝ ψ A1g H ψ A1g d τ ψ A | H | ψ 1g ∫ = = A 1g = 1 6 ( φ 1 + φ 2 + φ 3 + φ 4 + φ 5 + φ 6 ) H 1 6 ( φ 1 + φ 2 + φ 3 + φ 4 + φ 5 + φ 6 ) = 1 ( H + H + H + H + H + H + H + H + H + H + H + H 6 11 12 13 14 15 16 21 22 23 24 25 26 ↓ ↓ ↓ ↓ ↓ ↓ α β β β α β ⎞ ⎟ ⎟ ⎠ + H 3i (i = 1 − 6) + H 4i (i = 1 − 6) + H 5i (i = 1 − 6) + H 6i (i = 1 − 6) ↓ ↓ ↓ ↓ α +2 β α +2 β α +2 β α +2 β = 1 (6)( α + 2 β ) = α + 2 β 6 E ψ A 1g ⎞ ⎟ ⎠ ⎞ ⎟ ⎠ The energy of the LCAO, ψ...
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 / 5

Lecture_7 - MIT OpenCourseWare http/ocw.mit.edu 5.04...

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