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

Q: The MOE results and a discussion pertaining to the conformation of Thioflavin T at low potential…

A: Thioflavin T is a type of Biphenyl compound. In Biphenyl compounds, two phenyl groups are connected…

Q: The HuckeI energies of the four π orbitals of cyclobutadiene are α + 2β, α, α, and α - 2β, What is…

A:

Q: Answer the following questions for 1,3,5- hexatriene, the conjugated triene containing six carbons.…

A:

Q: The degree of unsaturation, or index of hydrogen deficiency, is the number of pi bonds plus rings in…

A: The degree of unsaturation, or index of hydrogen deficiency, can be calculated as: DOU =(Number of C…

Q: Which MOs are the HOMO and the LUMO in the excited state?

A: Molecular orbitals: When atomic orbitals of similar energy combine with each other then the…

Q: What is the energy cost for the H-Cl eclipsing interaction if the total energy cost of rotation is…

A: Eclipsed conformation: In this conformation, 2 substituents X and Y on adjacent atoms A and B are at…

Q: Propose structures for molecules that meet the following descriptions: a. Contains two…

A: Alkane C are SP3 hybridized alkene  C atoms are SP2 hybridized while alkyne C are SP hybridized  .…

Q: На HO A) (В) C) -R 11!!!! нужн 1888

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Q: 2.12. which of the following complet lons would you expect to have jahn tellor distortion! ExplaiIn…

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Q: For conjugated systems with two, three, four, five, six, and seven conjugated p bonds, construct…

A: Conjugated system is a system of connected p-orbitals with delocalized electrons with alternating…

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 longest wavelength electronic transition in simple unsaturated hydrocarbons corresponds to a…

A: HOMO stands for highest occupied molecular orbital and LUMO stands for lowest unoccupied molecular…

Q: a. Cyclooctatetraene (COT) is shown below. Assume the molecule is planar, use the Hückel molecular…

A: Cyclooctatetraene is an eight membered cyclic hydrocarbon. The molecules which are planar and…

Q: he degree of unsaturation, or index of hydrogen deficiency, is the number of pi bonds plus rings in…

A: Explanation Degree of Unsaturation Degree of Unsaturation Formula- We also know it by the name of…

Q: What is the index of hydrogen deficiency for the following molecule? S. S. NH2 H2N O 1 O 2 O 3

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

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Q: Propose structures for molecules that meet the following descriptions: Contains two sp2 hybridized…

A: Given : there are 2 sp2 and 2 sp3 hybridised carbons in the molecule.

Q: 30, What kind of molecular orbital (o, o*, T, or n*) results when the two atomic orbitals shown…

A: Antibonding orbitals are the orbitals in which electrons spend most of their time outside the nuclei…

Q: The degree of unsaturation, or index of hydrogen deficiency, is the number of pi bonds plus rings in…

A: We have,

Q: Draw an MO diagram for the pi-bonding in 1,3-butadiene (C2h symmetry). Draw a picture of each MO…

A: M.O CAN BE OBTAINED FROM NOMOF PARTICIPATING ORBITALS,HERE TOTAL 4 ATOM PARTICIPATED SO 4 M.O WILL…

Q: 5) Give a representation of the highest occupied л MO of 1,3-butadiene in its ground state

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Q: Sketch the highest occupied molecular orbital (HOMO) of butadiene, sketch the lowest unoccupied…

A: The reaction of butadiene and ethylene is called Diels-Alder reaction. Diels-Alder is a [4+2]…

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

A: The Molecular energy diagram of the HOMO and the LUMO in the ground state of 1,3,5-hexatriene has to…

Q: Set up and solve the secular determinants for (a) cyclobutadiene in the Hückel p-electron scheme…

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Q: 6) Give a representation of the lowest occupied л MO of 1,3-butadiene in its ground state.

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Q: Answer the following question for 1,3,5- hexatriene, the conjugated triene containing six carbons.…

A: The given compound is 1,3,5-hexatriene. To find: Which MOs are the frontier molecular orbitals

Q: 9. How many stereo centres are there in the following molecule?

A:

Q: The degree of unsaturation, or index of hydrogen deficiency, is the number of pi bonds plus rings in…

A: We have to calculate the IHD.

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: What can you conclude about the symmetry of the C3H5+ ion as it actually exists, as regards the bond…

A: We will discuss  about the symmetry of the C3H5+ ion as it actually exists, as regards the bond…

Q: The degree of unsaturation, or index of hydrogen deficiency, is the number of pi bonds plus rir…

A: The degree of unsaturation of the hydrogen deficiency index (HDI) can be calculated by using the…

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: Benzene ring has only one S6 symmetry but bC2 in addition to other symmetry elements True False

A: Benzene belongs to D6h point group.

Q: ΔΕ Which isotopologue has the smallest spacings, v = in rotational states? h Assume that the…

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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: Answer the following questions for 1,3,5- hexatriene, the conjugated triene containing six…

A: Symmetric orbital is also known as bonding orbital whereas antisymmetric orbital is known as…

Q: 3. Assign each molecule or ion to its proper point group. a. cyclobutane b.…

A: To determine the point group, first determine the symmetry elements present in the compound . Note :…

Q: Determine the symmetry of the IR active C-H stretching modes for cyclohexane boat conformation

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Q: The degree of unsaturation, or index of hydrogen deficiency, is the number of pi bonds plus rings in…

A: Deree of unsaturation is also known as index of hydrogen deficiency , double bond equivalents, or…

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: Draw one all-bonding MO, thena pair of degenerate MOs, and then a final pair of degenerate MOs. Draw…

A: To find: The Molecular orbital diagram for the cyclopentadienyl cation and anion

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

A:

Q: SYMMETRY. Given the following fluoride compounds: NF3, BF3, ClF3 a.) Can IR spectroscopy be used to…

A: NF3 has a trigonal pyramidal geometry. It belongs to point group C3v, like ammonia. It has a C3…

Q: b) The B3LYP/6-31G(d) energy-minimized structure of 3-(4'-nitrophenyl)furan is shown below on an…

A: There are two factors that govern the stability of biaryl systems: Electronic repulsion between…

Q: The degree of unsaturation, or index of hydrogen deficiency, is the number of pi bonds plus rings in…

A: Degree of Unsaturation (DU) is also known as Double Bond Equivalent. If the molecular formula is…

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.