Sketch the MO diagram for 1,3 budadiene. Identify the HOMO and LUMO along with all symmetric MO’s, asymmetric MO’s, bonding MO’s, and anti bonding MO’s.

Q: Find out all the energies and the complete molecular orbitals for 1,3 butadiene system.

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Q: or each of the following molecules, construct the MOS from the 2p, atomic orbitals perpendicular to…

A: Cyclobutadiene has 4 Π electrons and allyl radical has 3 Π electrons. There are 4 MOs possible for…

Q: Antibonding MOs always have at least one node. Can abonding MO have a node? If so, draw an example.

A: When two atomic orbitals overlap, they form two molecular orbitals, of which one is bonding and one…

Q: using FMO (orbital coefficients and delta EHOMO-LUMO

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Q: Draw the π-molecular orbitals for benzene, indicate the nodal planes and designate the proper energy…

A: Answer - The π-molecular orbitals for benzene -

Q: MOT diagram for N2

A: The electronic configuration of N- atom can be written asN (7) : 1s2 2s2 2p3N (7) : 1s2 2s2 2p3

Q: Model H2C=C=CH2. Visualize/sketch molecular orbitals, HOMO, HOMO-1 and HOMO-2 and dentify if it is…

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Q: Which MOs are the HOMO and the LUMO in the excited state? for the MOs of 1,3,5-hexatriene:

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Q: (D.) (in eV) energy Calculate the bond OF H35Q and "A"Br molecules. Which 6 ond is stronjer? HU: Ve…

A: For HCl, Do=6.237eV For HBr, Do=3.966eV

Q: The epected shorhand electronic confguration for Gd (Atomic Number = 64) is:

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Q: In the highest energy TT MO of 1,3-butadiene nodes are found.

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Q: 3. Assign each molecule or ion to its proper point group. a. SeF6 b. XEOF4 с. ХеОzF2 d. XeO3F

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Q: Bro 1) The orbital potential energies for the 4s and 4p of Br are -18.65 ev and -12.49ev,…

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Q: Produce an MO diagram for N2 and determine the overlap integral for the HOMO and LUMO orbitals using…

A: solution- MO diagram for N2 is given below;

Q: The molecutar orbitals of 1,3-butatiene are given below. Cick on the blue bax to toggle through 0,…

A: There are four pi electrons in 1,3-butadiene and each orbital can be filled with a maximum of two…

Q: NO3- (d3h) MO diagram.. needed in irreducible form

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Q: determine the symmetry adapted linear combinations of borane BH3

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Q: Which MOs are symmetric, and which are antisymmetric? for the MOs of 1,3,5-hexatriene:

A: Molecular orbitals can be represented by wave functions which relates the spatial arrangement of…

Q: Set up the secular determinants for (i) azulene (3), (ii) acenaphthylene (4) within the Hückel…

A: (i) azulene  The secular determinant for azulene is set within Huckel approximation as shown below,…

Q: Which of the following would be expected to have a dipole moment of zero on the basis of symmetry?…

A: The molecule that is expected to have a  dipole moment of zero on the basis of symmetry has to be…

Q: For each of these contour representations of molecular orbitals,identify (a) the atomic orbitals (s…

A: (a) Since s orbital has spherical in shape and p orbital has dumbbell shape. When two s orbitals are…

Q: Based on the shapes of p and d orbitals and the necessary match of symmetry, please predict and…

A: Atom A orbitals - p Atom B orbitals - d We have to draw the possible bonding interactions between A…

Q: Based on the symmetry considerations used for homonucelar diatomic molecules, consider the C2H4 a.…

A: When symmetry of two orbitals matches, then bonding orbitals are formed.  When symmetry of two…

Q: Moleaular orbital (MO) theory relates to the symmetry properties & relative energies of atomic…

A: Molecular orbitals are formed when the atomic orbitals with nearly or equal energy are overlapped…

Q: Newman projections shows the mos

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Q: Which of the following depictions of a ligand group orbital would have the correct symmetry to form…

A: The Ligand Group Orbital with t2 bonding character that has the correct symmetry with a 2pz orbital…

Q: Apply the Hückel approximation on the conjugated molecule, 1,3,5 – hexatriene, C6H8 to carry the…

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Q: Consider the following species: CN , CN ΝΟ, NF (a) Represent the bonding with a well-labuued…

A: Bond order = [(Bonding molecules' number of electrons) – (Antibonding molecules' number of…

Q: Assign each molecule or ion to its proper point group. a. NCl3 b. COS c. CH,N2 (diazomethane) d.…

A: All the symmetry  elements  have  to be considered for knowing point group.

Q: 4) How many nodes, other than the node coincident with the molecular plane, are found in the highest…

A: Node is a point where finding the electron density is zero .

Q: (iii) Distinguish between pi (TT) and delta (0) bonding molecular orbital (MO) using the symmetry…

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Q: Which of the following represents the lowest energy pi molecular orbital for cyclopentadiene?

A: Carbon atom four electrons in its valence shell. It can form covalent bond with maximum of four…

Q: Which factor listed below would most indicate that s-p mixing plays an important role in defining…

A: In some cases π 2p is above of σ 2p and other situation have σ 2p is above of π 2p orbital. this is…

Q: Which of the following would be expected to have a dipole moment of zero on the basis of symmetry?…

A: All symmetrical molecules have diople moment equal to zero and are considered as non-polar whereas…

Q: How many nodes are there in each of the MOs of 1,3-butadiene?

A: Introduction : We have to tell number of nodes in each energy level of 1,3-butadiene.

Q: H-He-H2* is a linear trinuclear ion with the He occupying the central position, and the two…

A: In MO theory, molecular orbitals form by the overlap of atomic orbitals. Atomic orbital energy…

Q: 5) The following are actual calculated molecular orbitals for the diatomic molecule OF- (note the…

A: According to this theory valence electrons are occupied two types of orbitals such as bonding…

Q: The most stable MO of 1,3,5-hexatriene and the most stable MO of benzene are shown here. Which…

A: Conjugated cycloalkenes has a property of stabilizing the molecule by the delocalization of pi…

Q: Using appropriate diagram(s), show which of the symmetry operation(s) does the [SO4]2- ion have: (i)…

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Q: The bond in H–CI can be explained by the overlap between an s orbital from hydrogen and a p orbital…

A: (a)

Q: Use group theory to derive the MO diagram for the pi system in 1,3-butadiene. Sketch the shapes of…

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Q: Which one of the following is correct regarding the symmetry of molecular orbitals? O Tg is g O Od…

A: "g"  and  "u"  Stands for the gerade and ungerade respectively. These are symmetry of molecular…

Q: Plot the relative energies of the MOs of benzene ?

A: The hydrocarbon benzene has the chemical formula C6H6 and the molar mass 78.11 g/mol. In this…

Q: Using symmetry, TOM and Orbital energy table Atomic, construct the OM Diagram for the following…

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Q: Prepare molecular orbital energy-level diagrams for C22-. Label the orbital type (e.g. o, n*,…

A: C22- Atomic number of C = 6 Electronic configuration = 1s2 2s2 2p2 Total electrons in C2 = 12 Total…

Q: (a) Draw the orbital picture for :C=0: showing the explicit overlap of the contributing AOs. (b) How…

A: Molecular orbitals are formed by the Linear Combination of Atomic Orbitals (LCAO). Number of…

Q: Show the secular determinant with x substitution for the compound. Calculate its Huckel Molecular…

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Quantum Mechanical Treatment of the Valence Bond Theory

Quantum mechanical treatment of valence bond theory refers to the relationship established between the quantum mechanical theory and the valence bond theory to describe the chemical bonding in a particular molecule.