ResourcesLx Give Up7ŠolutionNext QuestionQuestion 18 of 25O My Attempt YThe Newman projection that matches the 3D molecule is:structure and drag to rotate it, or use the controls provided.ICH.CHHOCHH2H,C.HOHH.HOCHCH,H.H2H,CноCH3H2Zoom InH.Rotate XRotate YRotate ZноCH3H.SolvedMacBook Airfo of

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Answered: O My Attempt The Newman projection that…

Macroscale and Microscale Organic Experiments

7th Edition

ISBN:9781305577190

Author:Kenneth L. Williamson, Katherine M. Masters

Publisher:Kenneth L. Williamson, Katherine M. Masters

Chapter37: Dibenzalacetone By The Aldol Condensation

Section: Chapter Questions

Problem 10Q

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Following the pattern of Figure 6.21, work out the correlation diagram for the BeN molecule, showing the relative energy levels of the atoms and the bonding and antibonding orbitals of the molecule. Indicate the occupation of the MOs with arrows. State the order of the bond and comment on the magnetic properties of BeN.
The Be2 molecule has been detected experimentally. It has a bond length of 2.45 Å and a bond dissociation energy of 9.46kJmol1 . Write the ground-state electron configuration of Be2 and predict its bond order using the theory developed in the text. Compare the experimental bonding data on Be2 with those recorded for B2,C2,N2, and O2 in Table 6.3. Is the prediction that stems from the simple theory significantly incorrect?
Explain the difference between the and MOs for homonuclear diatomic molecules. How are bonding and antibonding orbitals different? Why are there two MOs and one MO? Why are the MOs degenerate?
For each of the following molecules, construct the MOs from the 2pz atomic orbitals perpendicular to the plane of the carbon atoms. (a) Cyclobutadiene HC (b) Allyl radical Indicate which, if any, of these orbitals have identical energies from symmetry considerations. Show the number of electrons occupying each MO in the ground state, and indicate whether either or both of the molecules are paramagnetic. Assume that the C atoms in the allyl radical are all sp2 hybridized.
If [CH4}) = 0.1M; [O2] = 0.25M\[CO2 ]= 0.35M and [H2O] = 0.15M what is the value of Qc?
For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N carbon atoms contributing an electron in a 2p orbital, Huckel theory gives the fol lowing expression for the energies Ek of the resulting π molecular orbitals Calculate the energies of the 1t molecular orbitals of benzene and cyclooctatetraene. Comment on the presenceor absence of degenerate energy levels. (b) Ca lcu late and compare the delocalization energies of benzene and hexatriene using the expression from the preceding problem. What do you conclude from your results? (c) Calculate and compare the delocalization energies of cyclooctatetraeneand (linear) octatetraene. Are your conclusions for th is pair of molecules the same as for the pair of molecules investigated in part (b)?
Why is the following molecule a proof thathybridisation must exist? What would have beendifferent if there was no hybridisation?
Set up and solve the secular determinants for (a) cyclobutadiene in the Hückel p-electron scheme (considering a single p orbital on each carbon); find and order the energy levels and molecular orbitals, and estimate the delocalization energy
(a) How does the structure of diborane (B2H6) differ fromthat of ethane (C2H6)? (b) Explain why diborane adoptsthe geometry that it does. (c) What is the significance ofthe statement that the hydrogen atoms in diborane aredescribed as “hydridic”?
what is the molecular geomtery of Sf5-
The FEMO theory of conjugated molecules is crude and marginally better results are obtained with simple Huckel theory. (a) For a linear conjugated polyene with each of N carbon atoms contributing an electron in a 2porbital, the energies Ek of the resulting π molecular orbitals are given by: Ek = α + 2β cos kπ/N+1 k = 1,2,3, ... N Use this expression to estimate the resonance integral β for the series consisting of ethene, butadiene, hexatriene, and octatetraene given that ult raviolet absorptions from the HOMO, which is a bonding π orbital, to the LUMO, which is an antibonding π* orbital, occur at 61 500, 46 080, 39 750,and 32 900 cm- 1, respectively. (b) Calculate the π-electron delocalization energy, Edelcc = Eπ -n(α + β). of octatetraene, where Eπ, is the total π-electron binding energy and n is the total number of π-electrons.
For each molecule or molecular ion below, calculate the bond order: N2, N2-, O2 and O2+. In this calculation, show which specifically bonding and anti-bonding molecular orbitals were used in the calculation. Please label molecular orbitals with appropriate “g” (“gerade”) and “u” (“ungerade”) subscripts.

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O My Attempt The Newman projection that matches the 3D molecule is: structure and drag to rotate it, or use the controls provided. OH H. CH но H. H2 H,C OH CH, H. H2 HO CH3 H2 CH, H2 H,C HO CH H2 H. CH3 H2 Rotate Y Rotate Z Zoom In H. Rotate X HO ČH3