Use the References to access important values if needed for this question.Sigma BondingAo bond arises from the straight-on overlap of two atomic orbitals. The electron density lies along the axis of the two bonded nuclei.sp3 hybrid orbitalExample:Sigma Bondingin methane, CH.1s orbitalWhat atomic or hybrid orbitals make up the sigma bond between C, and Cl in dichloroethylene, CH,CC1, ?(C, is the second carbon in the structure as written.)orbital on C, +orbital on ClWhat is the approximate C1-Cz-Cl bond angle ?

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Answered: Use the References to access important…

Organic Chemistry: A Guided Inquiry

2nd Edition

ISBN:9780618974122

Author:Andrei Straumanis

Publisher:Andrei Straumanis

Chapter17: Conjugation And Molecular Orbital (mo) Theory

Section: Chapter Questions

Problem 8CTQ

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The molecular orbital diagram of NO shown in Figure 10.47 also applies to OF. Draw the complete molecular orbital diagram for OF. What is the OF bond order? Figure 10.47 Molecular orbital diagram for nitric oxide (NO). The molecular orbital diagram for NO predicts a bond order of 2.5 and predicts that the molecule is paramagnetic with one unpaired electron. These predictions are verified by experimental measurements.
Compare Figs. 4-47 and 4-49. Why are they different? Because B2 is known to be paramagnetic, the 2p and 2p molecular orbitals must be switched from the first prediction. What is the rationale for this? Why might one expect the 2p to be lower in energy than the 2p? Why cant we use diatomic oxygen to help us decide whether the 2p, or 2p, is lower in energy?
Construct an approximate molecular orbital energy diagram for a hypothetical planar form of NH3. From a consideration of the atomic energy levels, place the N and H3 orbitals on either side of a molecular orbital energy-level diagram. Then use your judgement about the effect of bonding and anti bonding interactions and energies of the parent orbitals to construct the molecular orbital energy levels in the centre of your diagram and draw lines indicating the contributions of the atomic orbitals to each molecular orbital. Ionization energies are I(H1s) = 13.6 eV, I(N2s) = 26.0 eV, and I(N2p)=13.4 eV.
a) Construct the molecular orbitals of NO-. b) Between the molecular HNO and HON, on the basis of your estimation and your answer to part a, which structure is favored?
This question will explore bonding in OH and OH- using molecular orbital theory a) Explain any differences in energy between atomic orbitals of O vs. the atomic orbital of H. b) Taking into account your response to part a, draw a molecular orbital diagram for the valence electrons in the neutral diatomic OH. Include a sketch of the molecular orbitals in your sketch. The relevant molecular orbitals listed in order of increasing energy are σ2s(1 orbital), σ2p(1 orbital), π2p (2 orbitals), σ2p∗(1 orbital). (Hint: the 2s atomic orbital of the O atom to not interact with the 1s atomic orbitals on the H atom). c) How do you expect the bond length in OH to compare to that of the OH- anion? Justify your answer by calculating the bond order of each species.
Complete the following table by providing theVSEPR-name and hybridisation (sp, sp2 or sp3) ofthe atom indicated by the arrow.
Consider the H2+ ion. (a) Sketch the molecular orbitals ofthe ion and draw its energy-level diagram. (b) How manyelectrons are there in the H2+ ion? (c) Write the electronconfiguration of the ion in terms of its MOs. (d) What isthe bond order in H2+? (e) Suppose that the ion is excitedby light so that an electron moves from a lower-energy toa higher-energy MO. Would you expect the excited-stateH2+ ion to be stable or to fall apart? (f) Which of the followingstatements about part (e) is correct: (i) The light excitesan electron from a bonding orbital to an antibonding orbital,(ii) The light excites an electron from an antibonding orbitalto a bonding orbital, or (iii) In the excited state there are morebonding electrons than antibonding electrons?
The molecule shown below is called furan. It is represented intypical shorthand way for organic molecules, with hydrogenatoms not shown, and each of the 4 vertices representing acarbon atom. (a) What is the molecular formula for furan? (b) How manyvalence electrons are there in the molecule? (c) What isthe hybridization at each of the carbon atoms? (d) Howmany electrons are in the π system of the molecule? (e) TheC¬C¬C bond angles in furan are much smaller than thosein benzene. The likely reason is which of the following: (i) Thehybridization of the carbon atoms in furan is different fromthat in benzene, (ii) Furan does not have another resonancestructure equivalent to the one above, or (iii) The atoms in afive-membered ring are forced to adopt smaller angles than ina six-membered ring.
Acetylsalicylic acid, better known as aspirin, has the Lewisstructure (a) What are the approximate values of the bond angles labeled1, 2, and 3? (b) What hybrid orbitals are used about thecentral atom of each of these angles? (c) How many s bondsare in the molecule?
The diagram that follows shows the highest-energy occupiedMOs of a neutral molecule CX, where element X is in thesame row of the periodic table as C. (a) Based on the numberof electrons, can you determine the identity of X? (b) Wouldthe molecule be diamagnetic or paramagnetic? (c) Considerthe p2p MOs of the molecule. Would you expect them to havea greater atomic orbital contribution from C, have a greateratomic orbital contribution from X, or be an equal mixtureof atomic orbitals from the two atoms?
15) Please elaborate the following: a) The carbon-oxygen σ bond in formaldehyde results from overlap of ________ and ________. b) The carbon-hydrogen σ bond results from the overlap of ________ and ________. Each blank above is to be filled in with one of the following: A) sp2 hybrid orbital B) sp3 hybrid orbital C) sp hybrid orbital D) sp3d hybrid orbital E) p atomic orbital F) s atomic orbital
Using your knowledge of M.O. theory, please construct a molecular orbital diagram for the C-CI bond in chloromethane. You should use an sp3 orbital from carbon and all 4 sp orbitals from chlorine to do this. * please indicate the identity of the highest occupied melecular erbitals (HOMO) and lowest unoccupied molecular orbital (LUMO).

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