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Molecular orbitals. Consider the following diatomic molecules: H2°, H2, Li2', N2, O2. For each molecule, (A)...
Molecular orbitals. Consider the following diatomic molecules: H2*, H2, Li2, N2, O2. For each molecule, (A) determine the number of electrons N; (B) give the index i of the HOMO (1 is lowest energy orbital, 2 is next one up, etc); (C) sketch the shape of the HOMO, indicating the signs of the lobes; (D) indicate the symmetry of the HOMO (o, T, 6) Molecular orbitals. Consider the following diatomic molecules: H2*, H2, Li2, N2, O2. For each molecule, (A)...
2. Molecular orbitals of homonulcear diatomic molecule. a. Sketch the molecular orbital energy dia molecular orbitals b. Calculate the bond order of C2 c. Does the molecule exist? (You can search information about this molecule)
The molecule is 3. (9 points) Sketch the frontier orbitals involved in bonding the H2 to W. a. (3 points) Start by considering the orbitals of the free H2 molecule. Draw the MO diagram for H2 and fill in the electrons. What is the HOMO? LUMO? Draw the shape of these orbitals. b. (4 points) Consider the metal orbitals which would have the appropriate symmetry to interact with each H2 orbital. Draw these interactions. Be sure to indicate the direction...
Which of the molecular orbitals below is the HOMO for the diatomic molecule N2–? The default font in Moodle does not display lower case Greek letters well. The symbol that looks like this (π) is pi (). Select one: π2p* π2p σ2p* σ2s* σ2p σ2s
Place the following five diatomic molecules in the first column of the table. For each molecule, write down its bond order. Li2, H2, C2, O2, N2, Be2 Molecule Bond order Bond length (Å) Dissociation energy (kJ/mol) 0.74 457 1.09 1.21 599 1.21 105 2.72 10.0 942 494 2.67 Number of electrons: H(1), He(2), Li(3), Be(4), C(6), N(7), O(8). Based on the table, draw (on the same plot) the ground state potential energy function of N2, Liz and Be2. Annotate axes....
2. (40 points) The MO diagrams for homonuclear diatomic molecules are given below. LUMO Lowes Unceaupiad 2P HOMD (tHighast ocaupied No No mixing Mixing of og orbitals (a) (b) Bo BongNon 8-2 Va) (15 pts) Choose the appropriate diagram for the N2 molecule and place the right number of electrons. Indicate the frontier orbitals (HOMO and LUMO) and the bond order. b) (20 pts) Sketch a qualitative MO diagram for the heteronuclear diatomic anion CN; place the right number of...
4. On the basis of molecular orbitals and molecular orbital diagrams, predict which molecule in each series will have the longest bond. Be sure to provide a brief explanation a. B2, B2 b. 02*, 0,- c. HHe", Hz 5. Consider the hydroxide ion, OH and do the following: a. Prepare a molecular orbital diagram and fill with electrons given the following atomic orbital potential energies: O(2s) = -32.3 eV, O(2p) = -15.8 eV, H(s) -13.6 eV. Be sure to label...
Using the molecular orbital energy ordering for second-row homonuclear diatomic molecules in which the π2p orbitals lie at lower energy than the σ2p, predict the bond order in a molecule or ion with each of the following numbers of total valence electrons.(Use the drawing MO energy diagrams) Will the molecule or ion be diamagnetic or paramagnetic? Part A Determine the bond order in a molecule or ion with 4 valence electrons. Part B Will this molecule or ion be diamagnetic...
Problem #1 Draw the first four e-molecular orbitals for the heptatrienyl cation shown below. Stack them according to energy with respect to the non-bonding line. Indicate the symmetry of each orbital. Show all nodes, and use shading to indicate the phase of the orbitals. Put in the A-electrons and identify the HOMO and LUMO orbitals HC CH Problem #2 Provide full IUPAC names for each of the following molecules: a) b) HO CH3
Consider the diatomic molecule NF. (a) Draw the shape of the 2 pz orbital on N. How many nodes does this orbital have? Show the nodes in your diagram. (b) Construct a molecular orbital energy diagram for NF. For this drawing consider both the s and p valence orbitals on each atom, but do not include orbital mixing. Show how the electrons are placed in the MO's. (c) How would orbital mixing alter the MO energy diagram you just constructed?...