1. Derive the following expression for the bonding and antibonding orbitals of a heteronuclear diatomic molecule consisting of two electrons in a molecular orbital of the form y = cAA + CBB with atomic orbitals A and B. Let aA=HAA, AB=HBB, B=HAB=HBA, SAA=SBB=1, and, as a simplification, let SAB=SBA=S=0 (zero-overlap approximation). Note that the assumption of SAB=SBA=S=0 is used simply to get a more transparent expression. Show that the secular determinant is given by a, - E = 0 - E and energies are given by 1/2 2B E̟ = }(a, +a,)±±(a,- For B<0, E. is the lower energy solution.

1. Derive the following expression for the bonding and antibonding orbitals of a heteronuclear diatomic molecule consisting of two electrons in a molecular orbital of the form y = cAA + CBB with atomic orbitals A and B. Let aA=HAA, AB=HBB, B=HAB=HBA, SAA=SBB=1, and, as a simplification, let SAB=SBA=S=0 (zero-overlap approximation). Note that the assumption of SAB=SBA=S=0 is used simply to get a more transparent expression. Show that the secular determinant is given by a, - E = 0 - E and energies are given by 1/2 2B E̟ = }(a, +a,)±±(a,- For B<0, E. is the lower energy solution.

Chemistry

10th Edition

ISBN:9781305957404

Author:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Publisher:Steven S. Zumdahl, Susan A. Zumdahl, Donald J. DeCoste

Chapter1: Chemical Foundations

Section: Chapter Questions

Problem 1RQ: Define and explain the differences between the following terms. a. law and theory b. theory and...

See similar textbooks

Similar questions

Draw the Lewis structure of CH₃CCH and then choose the appropriate set of hybridization states for the three central atoms. Your answer choice is independent of the orientation of your drawn structure.
1 Minbox (1600) Dudeled Mal-Francesca A Tante-Out Homepage-CHM150-251 ChexAv Chemistry ← app.101edu.co PgDn B □ O Update 905 ? Submit 7:30 PM 7/6/2002 (1 -- D - - - Backspace Enter Shift >
You have the following pair of molecules: POCl3 and HNO3. Determine: Is it or is it not polar? (make the skeleton of the previous structure and indicate the moment vectors ofdipole on the image justifying his answer).
How can i answer this question? i dont know what can i do
Given that the following MO-energy-level diagram applies to the the diatomic molecular cation BO+, match the letter label of each energy level with the corresponding orbital descriptor. (See attached image!) O2pσ2pσ2s*π2pσ2p*B+2sπ2p*σ2sO2sB+2p Does this diagram display the effect of s-p orbital mixing? YES or NO? Which kind of magnetism would be observed for this cation? paramagnetism diamagnetism What is the bond order for this cation? 0.0, 0.5, 1.0, 1.5, 2.0, 2.5, 3.0, 3.5, 2.0
Correlate the photoelectron spectra of N2 and O2 with their respective molecular orbital diagrams.
SO₂ molecule S Cau z - Determine the projection for the oxygen Px. Orbitals C2U E Ca ov(x2) ou (x2) PA Y b) Determine the a₂ & b, SALC's and the Shape of their LGO's. pz group orbitals for SO3 will reduce to pz = A₂ + B₁ X Oxygen pz group orbitals
When considering molecular orbital diagrams of homonuclear diatomic molecules, explain why atomic orbital energies are the same. How will this differ for heteronuclear diatomic molecules?