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

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

A:

Q: Hexasulfur (S6) is an allotrope of S that presents a chair conformation, similar to cyclohexane.…

A: By rotation arround 360°/n, at particular centre, if we get identical molecule, then we called…

Q: Draw the structure of 1-methoxy-1,3-butadiene, construct the diagram energy for molecular orbitals,…

A: In 1-methoxy-1,3-butadiene, C1 is bonded to methoxy group and double bonded to C2. C3 is also double…

Q: a. Cyclooctatetraene (COT) is shown below. use the Hückel molecular orbital theory…

A: The pi molecular orbital diagram of cyclooctatetraene is needed to be drawn using the Huckel's…

Q: properties compared to trans-but-2-ene. The melting points of these two compounds is influenced…

A: The melting point of substance is influenced by symmetry of molecules.  A packed and system Geometry…

Q: Calculate the number of elements of unsaturation implied by the molecularformula C6H12

A: The formula to calculate the degree of unsaturation of elements of unsaturation is as follows:…

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: Assuming a Dzd symmetric transition metal molecule and assign the d-orbitals to the corresponding…

A:

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: Give a molecular orbital description for the 1,3-pentadiene:

A: Molecular orbitals is the mathematical function which gives details about wave like behavior,…

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

A:

Q: For monocyclic conjugated polyenes (such as cyclobutadiene and benzene) with each of N carbon atoms…

A:

Q: Both cis and trans isomers of IO2F4- have been observed. Can IR spectra distinguish between these?…

A:

Q: Describe the occupied π molecular orbitals in the ground state of cyclobutadiene

A:

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: Consider the molecule whose line structure is below: 1. The molecule under discussion: a. has no…

A: 1) The molecule under discussion has no stabilization due to delocalized π electrons because for π…

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

A:

Q: Deduce the parities of the six π-orbitals of benzene.

A:

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

A:

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

A: We have,

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

A:

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

A:

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

A: Specify the degree of unsaturation (index of hydrogen deficiency) of the following formulas:

Q: 4. Using a Frost circle, approximate the relative energy level of the a molecular orbitals for…

A: Using frost circle approximates the relative energy level of the pi molecular orbitals for following…

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: Give a molecular orbital description for the 1,3,5-heptatriene:

A: Molecular orbital diagram:- It shows how atomic orbitals constitute together to form molecular…

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: Label the following molecular orbitals as σ or π orbitals and briefly explain. Be sure indicate the…

A: Sigma bonding takes place when atomic orbitals linearly combine about their internuclear axis wheras…

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: cyclobutadiene C4H4, 1,3-butadiene C4H6, In both cases, draw an energy diagram indicating the…

A:

Q: (d). From the side: Down the axis: What is the symmetry designation for this orbital: o, ,0. , Tg ,…

A:

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

A:

Q: Show the irreducible representations and related orbitals which involve in ♂ and bonding of NO3.…

A:

Q: a. How many s bond orbitals are available for overlap with the vacant p orbital in the methyl…

A: The configuration of carbon = 1s2 2s2 2p2. After excitation of electron from 2s to 2p: Formation of…

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

A:

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…