Consider the a bonding of the cis-1,3-butadiene molecule of Czv symmetry in the xz ne with the carbon atoms numbered as indicated CH2 4 A.. Using the Hückel method write the secular determinant that must be solved to determine the energies of the x orbitals of this molecule. Write this in terms of a and B. В. value of -1.62 correspond to relative to other energy values? Often a is set to zero and B is set to unity. In this case what would an energy C. The energy solutions for part A are 1.62B, 0.62B, -0.62B, and -1.62B. Draw an energy diagram for these levels and show the location of the electrons. What is the a bond stabilization for this molecule in B units? The wave-functions corresponding to the energy levels are shown below as D. linear combinations of atomic orbitals. For each indicate which energy level it corresponds to and label it as bonding, antibonding, or non-bonding. The symmetry species for the orbitals are 2A2+ 2B2. Label each orbital with the correct symmetry species. %3. -1 -1

Consider the a bonding of the cis-1,3-butadiene molecule of Czv symmetry in the xz ne with the carbon atoms numbered as indicated CH2 4 A.. Using the Hückel method write the secular determinant that must be solved to determine the energies of the x orbitals of this molecule. Write this in terms of a and B. В. value of -1.62 correspond to relative to other energy values? Often a is set to zero and B is set to unity. In this case what would an energy C. The energy solutions for part A are 1.62B, 0.62B, -0.62B, and -1.62B. Draw an energy diagram for these levels and show the location of the electrons. What is the a bond stabilization for this molecule in B units? The wave-functions corresponding to the energy levels are shown below as D. linear combinations of atomic orbitals. For each indicate which energy level it corresponds to and label it as bonding, antibonding, or non-bonding. The symmetry species for the orbitals are 2A2+ 2B2. Label each orbital with the correct symmetry species. %3. -1 -1

Physical Chemistry

2nd Edition

ISBN:9781133958437

Author:Ball, David W. (david Warren), BAER, Tomas

Publisher:Ball, David W. (david Warren), BAER, Tomas

Chapter12: Atoms And Molecules

Section: Chapter Questions

Problem 12.57E: What is the bond order for the lowest excited state of H2+ ? From this single result, propose a...

See similar textbooks

Related questions

Q: Which of the fol lowing molecules can have (a) a pure rotational spectrum and (b) a rotational Raman…

Q: Determine all symmetry elements and all unique symmetry operations of the following molecules: CRh.…

A: To determine the symmetry elements and unique symmetry operations of the molecule PPh3, we need to…

Q: What is the symmetry element corresponding to (a) Cn, (b) s, (c) i, (d) Sn?

Q: What are the symmetry elements of 2-butene assuming CH3 is spherical?

A: The objective of the question is to identify the symmetry elements of 2-butene, assuming that the…

Q: determine the symmetry adapted linear combinations of borane BH3

Q: For the chlorate anion (CI03-) For the chlorate anion, please give the type of rotational axis and…

Q: 4. Using the x , y, and z coordinates for each atom in N2O4, which is planar and has a…

A: Fach atom can move in three dimensions If all atoms move the same amount on the same direction the…

Q: Advanced Inorganic Chemistry - use character tables to predict the number of IR-active CO stretching…

Q: Consider the octahedral molecule [ML6]: 1) Draw the structure and show all axes 2) Write down all…

Q: The structure of [NO3]-is either trigonal planar or trigonal pyramidal draw both possible structures…

A: Since you have posted multiple questions, we will solve only first question for you. To get the…

Q: 4. One application of the Group Theory in chemistry is to predict vibrational modes of a molecule.…

A: “Since you have posted a question with multiple sub-parts, we will solve first three subparts for…

Q: Consider the character table given below for the point group D3h, which includes molecules like…

A: Answer-

Q: List all the electronic transitions possible for a. CH4 b. CH3Cl c. H2C=O

Question

3.
Consider the a bonding of the cis-1,3-butadiene molecule of C2v symmetry in the xz
plane with the carbon atoms numbered as indicated
CH2
A..
Using the Hückel method write the secular determinant that must be solved to
determine the energies of the x orbitals of this molecule. Write this in terms of a and B.
B.
Often a is set to zero and B is set to unity. In this case what would an energy
value of -1.62 correspond to relative to other energy values?
C.
The energy solutions for part A are 1.62B, 0.62B, -0.62B, and -1.62B. Draw an
energy diagram for these levels and show the location of the electrons. What is the a bond
stabilization for this molecule in B units?
D.
linear combinations of atomic orbitals. For each indicate which energy level it corresponds
to and label it as bonding, antibonding, or non-bonding. The symmetry species for the
orbitals are 2A2+ 2B2. Label each orbital with the correct symmetry species.
The wave-functions corresponding to the energy levels are shown below as

Expert Solution

This question has been solved!

Explore an expertly crafted, step-by-step solution for a thorough understanding of key concepts.

SEE SOLUTION Check out a sample Q&A here

Step 1

VIEW

Step 2

VIEW

Step by step

Solved in 2 steps with 1 images

SEE SOLUTION Check out a sample Q&A here

Knowledge Booster

Quantum Mechanical Treatment of Molecular Orbital Theory

Learn more about

Need a deep-dive on the concept behind this application? Look no further. Learn more about this topic, chemistry and related others by exploring similar questions and additional content below.

Similar questions

Construct the symmetry-adapted linear combination molecular orbitals for hydrogen sulfide, H2S.
Construct the Hckel determinants for cyclobutadiene and cyclopentadiene. In what ways are they alike? In what ways are they different?
a In the Td point group, an S41 improper rotation is equivalent to what other improper rotation? b In the D6h point group, the symmetry operation labeled C21 is equivalent to what other symmetry operation?
Linearly polarized light can be assigned a specific irreducible representation of a symmetry point group. If the electronic ground state of methane has A1g symmetry and x- polarized light has the label T2, what are the symmetry labels of allowed excited electronic states? Use the Td character table in Appendix 3.
Assume that x- polarized light can be assigned an E symmetry species in a system that has C4v symmetry. Can a transition from E state to a B2 state occur? Why or why not?
Determine the point group of the following molecules. a cis1,2 Dichloroethylene b trans1,2 Dichloroethylene c Toluene, C6H5CH3 d 1,3-Cyclohexadiene.
Determine the symmetry species of the D3h point group for the sp2 hybrid orbitals, assuming that the C3 axis is coincident with the z-axis and that one of the orbitals lies along the positive x-axis. See Example 13.16.
Determine which single symmetry operation of the following point groups is equivalent to the given combination of multiple symmetry operations. a In C2v, C2v=? b In C2h, iC2=? c In D6h, C6h=? d In D2d, C2C2=? e In Oh, iS4=?
a.) Write down for yourself the secular determinant for the hypothetical molecule linear H3 making the Huckel approximation, using the 1s atomic orbitals from each atom as the basis set. Given that α=-2.00 eV and β= -3 eV, what is the total electronic energy in eV? b.) Write down the secular determinant for the hypothetical molecule cyclic H3 making the Huckel approximation, using the 1s atomic orbitals from each atom as the basis set. Given that α=-2.00 eV and β= -2 eV, what is the total electronic energy in eV?
Give the ground state electron configurations of(a) Li2 (b) Be2 (c) C2 .Use the symmetry-specific nomenclature appropriate for homonuclear diatomics. Example, Sg would stand for σg. Enclose each MO in parenthesis followed by the number of electrons in that MO, e.g., the entry (1Sg)2 would represent 1σg2. Letter P then is used to represent a pair of π MO's.
Take the four hydrogen 1s orbitals of CH4 and determine how they transform under Td. b) Confirm that it is possible to reduce this representation to A1 + T2. c) With which atomic orbitals on C would it be possible to form MOs with H1s SALCs of symmetry A1 + T2?
From (d) please