Lecture 27: Homonuclear Diatomic Molecules-II The material in this lecture covers the following in Atkins. 14 Molecular structure Molecular Orbital Theory.

Slides:



Advertisements
Similar presentations
Covalent Bonding: Orbitals
Advertisements

Symmetry Translation Rotation Reflection Slide rotation (S n )
Chemical bonding in molecules
Diatomic Molecules and Beyond
Chemistry 2 Lecture 1 Quantum Mechanics in Chemistry.
Lecture 23: Introduction to Valence Bond Theory The material in this lecture covers the following in Atkins. 14 Molecular structure Valence-bond theory.
MOLECULAR STRUCTURE CHAPTER 11 Experiments show O 2 is paramagnetic.
Lecture # 8 Molecular Symmetry
Molecular Orbitals: combine atomic orbitals (AOs) from all the atoms in a molecule into the same number of molecular orbitals. MOs have different shapes,
MO diagram for homonuclear diatomic molecules Li 2 through N 2 MO diagram for homonuclear diatomic molecules O 2 and F 2.
Introduction to molecular structure – Part I Contents: atomic orbitals - generalities models used in developing the molecular structure molecular orbital.
Molecular Orbital Theory Atomic orbitals mix together and make: – Bonding Orbitals Electrons in these orbitals help hold atoms near each other – Antibonding.
Simple MO Theory Chapter 5 Wednesday, October 15, 2014.
Chapter 9 Covalent Bonding: Orbitals. Section 9.1 Hybridization and the Localized Electron Model Copyright © Cengage Learning. All rights reserved 2 Draw.
Formic acid: HCOOH Acetone.
Chapter 18 Molecular orbitals and spectroscopy 18.1Diatomic molecules 18.2Polyatomic molecules 18.3Conjugation of bonds and resonance structures 18.4The.
Lecture 37: Symmetry Orbitals
Chemistry 445. Lecture 3. Molecular Orbital Theory.
Welcome to the Chem 373 Sixth Edition + Lab Manual It is all on the web !!
Valence Bond (VB) and Molecular Orbital (MO) Theories
Molecular orbital theory Overcoming the shortcomings of the valence bond.
Lecture 25: Introduction to Molecular Orbital Theory The material in this lecture covers the following in Atkins. 14 Molecular structure Molecular Orbital.
Physical Chemistry 2 nd Edition Thomas Engel, Philip Reid Chapter 23 The Chemical Bond in Diatomic Molecules.
CHAPTER 4: MOLECULAR ORBITAL THEORY
CH4 – four-fold improper rotation
MO Theory H2+ and H2 solns.
MODULE 11 Diatomic Molecules and Beyond Our next task is to extend the procedures and ideas that we have developed for H 2 + to larger molecules. The track.
Electronic Spectroscopy
Chapter 9 Covalent Bonding: Orbitals. Chapter 9 Table of Contents 2 Return to TOC Copyright © Cengage Learning. All rights reserved 9.1 Hybridization.
Lecture 6: Operators and Quantum Mechanics The material in this lecture covers the following in Atkins The informtion of a wavefunction (c) Operators.
1 Molecular Orbitals in Chemical Bonding. 2 Molecular Orbital Theory zTypes of molecular orbitals that can be produced by the overlap of atomic orbitals.
CHE Inorganic, Physical & Solid State Chemistry Advanced Quantum Chemistry: lecture 2 Rob Jackson LJ1.16,
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.
Molecular orbital theory Chapter 9. Paramagnetism An atom or molecule is paramagnetic if it contains ___________ __________. An atom or molecule is diamagnetic.
Energy level diagram EA -  EA +  B A .
Atomic QM to Molecular QM ( ) Solution of SE for molecules is more complicated due to much larger number of electrons and multiple nuclei – SE.
Lecture 10. Chemical Bonding. Generalization & Matrix Representation References Engel Ch.12, Ratner & Schatz, Ch.11 Quantum Chemistry, McQuarrie, Ch.9.
Lecture 3: The Time Dependent Schrödinger Equation The material in this lecture is not covered in Atkins. It is required to understand postulate 6 and.
Symmetry Properties of Molecules
SYMMETRY, EVEN AND ODD FUNCTIONS NOTES: 9/11. SYMMETRY, EVEN AND ODD FUNCTIONS A graph is symmetric if it can be reflected over a line and remain unchanged.
What kind of orbital is this? (A)  g (B)  u * (C)  g * (D)  u (E)  g * side viewview along molecular axis.
Molecular Orbitals in Chemical Bonding
Lecture 18: Orbitals of the Hydrogen Atom The material in this lecture covers the following in Atkins. The structure and Spectra of Hydrogenic Atoms 13.2.
Lecture 24: Applications of Valence Bond Theory The material in this lecture covers the following in Atkins. 14 Molecular structure Valence-bond theory.
Lecture 4. : The Free Particle The material in this lecture covers the following in Atkins The informtion of a wavefunction (a) The probability density.
Lecture 5: Eigenvalue Equations and Operators The material in this lecture covers the following in Atkins The informtion of a wavefunction (b) eigenvalues.
Lecture 11: Harmonic oscillator-I. Vibrational motion (This lecture introduces the classical harmonic oscillator as an introduction to section Lecture.
Lecture 7: Expectation Values The material in this lecture covers the following in Atkins The informtion of a wavefunction (d) superpositions and.
Chemistry 445. Lecture 3. Molecular Orbital Theory.
Molecular Orbital Theory Molecular orbital theory describes covalent bonds in terms of molecular orbitals, which result from interaction of the.
Lecture 34: Symmetry Elements The material in this lecture covers the following in Atkins. 15 Molecular Symmetry The symmetry elements of objects 15.1.
1 The next two parts of the course are closely related, though at first it may not seem so.
Molecular Orbital Theory Bonding Models: Lewis Structures and VSEPR Valence Bond (VB) or Localized Electron (LE) Theory Molecular Orbital (MO) Theory Bonding.
Chapter 5 Molecular Orbital Theory
Last hour: Good angular momentum quantum numbers in linear molecules (e.g. diatomic): |ML| = ; S; MS= ;  = | + | Molecular terms constructed similar.
Solid State Chemistry Chapter 4 Molecular Structure
Chemistry 445. Lecture 3. Molecular Orbital Theory.
Sigma (s) and Pi Bonds (p)
Consider the Coulomb (J) and resonance integrals (K) in H2+:
Last hour: MO Theory Uses linear combinations of atomic orbitals (LCAO) as linear variation functions. For a diatomic: For H2+: Coulomb integral Resonance.
What kind of orbital is this?
Symmetry properties of molecular orbitals
© T Madas.
Molecular Orbitals Two interacting orbitals make two new orbitals. Using a 1s orbital on two H atoms: anitbonding orbital = higher energy bonding orbital.
Molecular Orbitals Two interacting orbitals make two new orbitals. Using a 1s orbital on two H atoms: anitbonding orbital = higher energy bonding orbital.
Molecular Orbital Theory
Reflections.
From McQuarrie & Simon “Physical Chemistry – A Molecular Approach”
What kind of orbital is this?
Molecular Orbital Theory
Presentation transcript:

Lecture 27: Homonuclear Diatomic Molecules-II The material in this lecture covers the following in Atkins. 14 Molecular structure Molecular Orbital Theory 14.5 The structure of diatomic molecules (f) The structures of homonuclear diatomic molecules 14.5 More about notation (a) parity (b) Term Symbols Lecture on-line Homonuclear diatomic molecules (PowerPoint) Homonuclear diatomic molecules (PDF) Handout for this lecture

Audio-visuals on-line Shape of molecular orbitals in homonuclear diatomic molecules (PowerPoint)(From the Wilson Group,***) Shape of molecular orbitals in homonuclear diatomic molecules (PDF)(From the Wilson Group,***) Composition of orbitals in homonuclear molecules (6 MB MBQuick-Time with music) (A must from the Wilson Group,*****) The Occupation of homonuclear diatomic orbitals (PowerPoint)(From the Wilson Group,***) The Occupation of homonuclear diatomic orbitals(PDF) (From the Wilson Group,***)

An alternative molecular orbital energy level diagram for homonuclear diatomic molecules. As remarked in the text, this diagram should be used for diatomics up to and including N 2.

The variation of the orbital energies of Period 2 homonuclear diatomics. The g and u labels are explained later (Section 14.6a).

The variation of the orbital energies of Period 2 homonuclear diatomics. The g and u labels are explained later (Section 14.6a).

The variation of the orbital energies of Period 2 homonuclear diatomics. The g and u labels are explained later (Section 14.6a).

An alternative molecular orbital energy level diagram for homonuclear diatomic molecules. As remarked in the text, this diagram should be used for diatomics up to and including N 2.

The parity of an orbital is even (g) if its wavefunction is unchanged under inversion in the centre of symmetry of the molecule, but odd (u) if the wavefunction changes sign. Heteronuclear diatomic molecules do not have a centre of inversion, so for them the g,u classification is irrelevant.

The parity of an orbital is even (g) if its wavefunction is unchanged under inversion in the centre of symmetry of the molecule, but odd (u) if the wavefunction changes sign. Heteronuclear diatomic molecules do not have a centre of inversion, so for them the g,u classification is irrelevant.

The  in a term symbol refers to the symmetry of an orbital when it is reflected in a plane containing the two nuclei.