We think you have liked this presentation. If you wish to download it, please recommend it to your friends in any social system. Share buttons are a little bit lower. Thank you!
Presentation is loading. Please wait.
Published byTrevin Whitney
Modified over 2 years ago
H 2, He 2, and HeH Step 1: A basis for H 2 : AB AB
Step 2: Write down the Roothaan-equation H 2, He 2, and HeH (continued)
Step 3: Solve the Roothaan-equation ABAB H 2, He 2, and HeH (continued)
AB AB AB Step 3: Solve the Roothaan-equation
H2H2 H H 2, He 2, and HeH (continued) H
bond energy: energy of electron in lower MOenergy of electron in 1s H (H 2 is stable.) neglect of overlap:
H 2, He 2, and HeH (continued) Intermezzo: MO-diagrams and energy-levels central column of an MO-diagram (MO-energy) energy of the whole system (total energy)
He 2 : H 2, He 2, and HeH (continued)
He 2 He H 2, He 2, and HeH (continued) He
H 2, He 2, and HeH (continued) bond energy: energy of electron in lower MO energy of electron in 1s He (He 2 is not stable.) Overlap should not be neglected here. energy of electron in upper MO
HeH: H 2, He 2, and HeH (continued)
H 2, He 2, and HeH (continued) He level shifted downwards H level shifted upwards ordering: The average of the levels increases.
H 2, He 2, and HeH (continued) The lower MO resembles the 1s orbital of He. The upper MO resembles the 1s orbital of H.
HeHHe H 2, He 2, and HeH (continued) H
Solving Equations = 4x – 5(6x – 10) -132 = 4x – 30x = -26x = -26x 7 = x.
Molecular Orbitals An overview. MO Theory Robert Mullikan won the Nobel Prize in 1966 for developing this theory. This theory describes the electrons.
Your Transformation Equation y = - a f(-( x ± h)) ± k - a = x-axis reflection a > 1 = vertical stretch 0 < a < 1 = vertical compression -x = y-axis reflection.
Qualitative MO-theory Why is the Hartree-Fock approximation important? HF gives quite reasonable estimates for the bond energies. HF is a starting point.
Chapter 9 Molecular Geometries and Bonding Theories.
MO diagram for homonuclear diatomic molecules Li 2 through N 2 MO diagram for homonuclear diatomic molecules O 2 and F 2.
Sigma and Pi bonding and Molecular Orbital Theory.
Molecular Orbital Theory (What is it??) Better bonding model than valence bond theory Electrons are arranged in “molecular orbitals” Dealing with.
Molecular Orbital Theory Atomic orbitals mix together and make: – Bonding Orbitals Electrons in these orbitals help hold atoms near each other – Antibonding.
= (valence or homopolar bond) 2 atoms share electrons (two electrons=single bond) to equal amounts no polarity H 2 -molecule most simple example Covalent.
Molecular Orbital Theory Molecular Orbitals Just as atomic orbitals belong to a particular atom, a molecular orbital belongs to molecules as a whole.
Molecular Geometries and Bonding Hybrid Orbitals With hybrid orbitals the orbital diagram for beryllium would look like this. The sp orbitals are higher.
and Bonds MO Theory. Visit: https://checkin.ics.uci.edu/https://checkin.ics.uci.edu/ Site is down, so there is no word of the day Visit: https://learningcatalytics.com/https://learningcatalytics.com/
The one that is lower in energy is called the bonding orbital, The one higher in energy is called an antibonding orbital. These two.
Chapter 101 Bonding and Molecular Structure Chapter 10.
Lecture 8. Chemical Bonding. Molecular Orbital Energy Diagram of One-Electron Molecule, H 2 + References Engel Ch.12, Ratner & Schatz, Ch.10, Appendix.
= the matrix for T relative to the standard basis is a basis for R 2. B is the matrix for T relative to To find B, complete:
AB 11 22 33 44 55 66 77 88 99 10 20 19 18 17 16 15 14 13 12 11 21 22 23 24 25 26 27 28.
Chemistry 445. Lecture 3. Molecular Orbital Theory.
Molecular Orbitals Chapter 9. Molecular Orbital model This model examines unpaired electrons, bond energies and excited state electrons. Examine the H.
Section 2.5 Transformations of Functions. Overview In this section we study how certain transformations of a function affect its graph. We will specifically.
MOLECULAR STRUCTURE CHAPTER 11 Experiments show O 2 is paramagnetic.
Factor the trinomial 3x x - 4 Solve the equation by factoring. 3x 2 + 9x – 12 = 0.
Hybridization: Localized Electron Model. Why Hybridization Occurs Example: Methane (CH 4 ) 4 hydrogens bonded to the central carbon atom The 4 electrons.
Molecular Modeling. Molecular Modeling: Visualizations & Predictions Numerical Methods Integral Method Semi-Empirical MO-SCF Methods Approximate MO Methods.
What’s coming up??? Oct 25The atmosphere, part 1Ch. 8 Oct 27Midterm … No lecture Oct 29The atmosphere, part 2Ch. 8 Nov 1Light, blackbodies, BohrCh. 9.
Atomic Orbital Filling Order and Electron Configurations AP Chemistry.
8.2 Operations With Matrices Two matrices are equal if they have the same order. & Find 3A - B Matrices must be equal (of the same order) to be able to.
AP Notes Chapter 9 Hybridization and the Localized Electron Model
S- orbitals (l=0) p- orbital (l=1) d-orbital (l=2)
Weakly dissipative system – local analysis Linear stability analysis orHopf bifurcation: S + /U + : upper state exists and is stable/unstable S – /U –
THE “MAKEUP” LECTURE TOPICS Molecular Polarity (8.7) Introduction to Bonding Theories (9.1) Valence Bond Theory (9.2) December 1, 2009.
1 Chapter 9 Orbitals and Covalent Bonds. 2 Two types of Bonds l Sigma ( ) bonds from overlap of orbitals l They are between the atoms Pi bond ( bond)
Chemistry Notes Electron Configurations. Studying the arrangement of electrons in atoms helps one understand chemical activity. From an electron configuration.
Molecular Geometries and Bonding Chapter 9 (Part 2) Molecular Geometries and Bonding Theories Chemistry, The Central Science, 10th edition Theodore L.
1 Molecular Geometry and Hybridization of Atomic Orbitals.
Molecular Geometries and Bonding © 2009, Prentice-Hall, Inc. Sections Molecular Geometries and Bonding Theories Chemistry, The Central Science,
Function - 2 Meeting 3. Definition of Composition of Functions.
SOLVING VENN DIAGRAMS The universal Set, U, and the sets A, B and Contained within it are such that: Find:
6.8 –Systems of Inequalities. Just like systems of equations, but do the inequality part!
Chemistry 6440 / 7440 Semi-Empirical Molecular Orbital Methods.
Word Splash – Write a few sentences about how the following terms are related.
Molecular Orbital Energy Diagrams (16.7) MO energy diagrams are useful in that they show how atomic orbitals from different atoms may combine to molecular.
1 Chapter 9 Covalent Bonding n Includes following concepts: –Hybridization & Localized Electron Model, – Molecular Orbital Model, n Sigma and Pi bonds.
1.4 – Shifting, Reflecting, and Stretching Graphs
Clicker Check Question: Have you taken a calculus course? 1.Never. 2.In high school but not college. 3.I am taking my first calculus course this term.
Chemistry 301/ Mathematics 251 Chapter 4 Eigen value problems.
© 2017 SlidePlayer.com Inc. All rights reserved.