Geometry Point Group Reducible Representation For all atomic motions Vibrational modes Infrared-active modes Raman-active modes Number...
| Geometry | Point Group |
Reducible Representation For all atomic motions |
Vibrational modes |
Infrared-active modes |
Raman-active modes | Number of IR absorptions | Number of Raman emissions |
| square planar |
Homework Answers
The following were explained based on general square planar complexes
For square planar geometry point group is D4h
The reducible representation is the sum of non reducible representations A1g + A2g + B1g + B2g + Eg+ 2Au + B2u + 3Eu
There are 9 vibrational modes of a square planar complex with 3 infrared active modes (A2u , 2Eu ) and 3 IR absorptions.
Three raman active modes are present which are A1g, B1g, B2g. with three raman emissions.
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Geometry
Point Group
Reducible Representation
For all atomic motions
Vibrational modes
Infrared-active
modes
Raman-active modes
Number...
Cl 2. (15 points) For the SFsCl molecule: What is the point group? What is the total number of degrees of fredom -b gl 216 What is the total number of vibrational modes?3 What is the reducible rep...
Cl 2. (15 points) For the SFsCl molecule: What is the point group? What is the total number of degrees of fredom -b gl 216 What is the total number of vibrational modes?3 What is the reducible representation and what are the irreducible representations of the vibrational modes? Identify which modes are Raman active, IR active, both active or neither. Determine the reducible representation. Then, determine the coefficients of the irreducible representations.
Cl 2. (15 points) For the SFsCl molecule:...
ol Name Date Find the reducible representation of NCls and identify the irreducible representations responsible for Raman and infrared active modes? Identify the respective modes in each case. pt...
ol Name Date Find the reducible representation of NCls and identify the irreducible representations responsible for Raman and infrared active modes? Identify the respective modes in each case. pts.) 2. (20
ol Name Date Find the reducible representation of NCls and identify the irreducible representations responsible for Raman and infrared active modes? Identify the respective modes in each case. pts.) 2. (20
14 pts) For formaldehyde (C2v), find the following, please show all work: The reducible representation for...
14 pts) For formaldehyde (C2v), find the following, please show all work: The reducible representation for all motions of atoms. The irreducible representations that make up the reducible representation. The irreducible representations that account for translation. The irreducible representations that account for rotation. The irreducible representations that account for vibrations Of these vibrational irreducible representations, which are IR active? Of these vibrational irreducible representations, which are Raman active?
1. Using the following reducible representation for all of the molecular motions of IF5. C4v E...
1. Using the following reducible representation for all of the molecular motions of IF5. C4v E 2C4 C2 2sigmav 2sigmad T 18 2 -2 4 2 a) Using the character table provided, find the irreducible representations for all the molecular motions in IF5 (reduce the reducible representation). b) What are the irreducible representations of the three translational motions? c) What the irreducible representations of the three rotational motions? d) Identify all the vibrational bands in IF5 that are IR...
Q1) Provide the point group for the IR- or Raman-active vibrational modes using the character tables...
Q1) Provide the point group for the IR- or Raman-active
vibrational modes using the
character tables provided below. Each point group is only
represented once.
i)
IR Vibration = 2B2u + B3u ______ ii)
IR Vibration = 2B2 + E ______
iii)
IR Vibration = 3T2 ______ iv)
Raman Vibration = 2A1 + E1______
v)
IR Vibration = 2A1 + E ______ vi)
Raman Vibration = 2B3 ______
b) Which point group represents a centrosymmetric
molecule? ___________
We were unable...
The total degrees of freedom of the CIF3 molecule (T-shaped, Cav point group) are 4Ai +...
The total degrees of freedom of the CIF3 molecule (T-shaped, Cav point group) are 4Ai + 3. A2+3B1+4B2. Deduce the number of absorption lines observed in the IR and Raman spectra of CIF3 (4p). Identify the number and symmetry labels of the corresponding normal vibrational modes, using the table below to report the results. (6p). IR Raman 3 #absorptions # normal vibrational modes symmetry labels of vibrational modes
8. Answer the following questions about CO2: a. What is the theoretical number vibrational modes of...
8. Answer the following questions about CO2: a. What is the theoretical number vibrational modes of this molecule? b. What are factors that limit the number of observed vibrational modes? c. Explain why the symmetric stretch mode depicted here is Raman-active but IR- inactive.
Consider NH3 which has C3v point group symmetry Construct a reducible representation of the 1s atomic...
Consider NH3 which has C3v point group symmetry Construct a reducible representation of the 1s atomic orbitals of the hydrogen atoms
4. Determine the symmetry and the number of all normal modes of vibration for methane and...
4. Determine the symmetry and the number of all normal modes of vibration for methane and chloroform and identify the modes that are IR active and modes that are Raman active. How many bands would you "see” in the IR and Raman spectra for each compound?
Vibrational modes EXERCISE 11.17: Determine the number of IR active vi- brational modes in each of...
Vibrational modes
EXERCISE 11.17: Determine the number of IR active vi- brational modes in each of the following molecules. Note: You will have to use symmetry arguments to determine which vibrations result in a net change in the molecular dipole moment. (a) SO, (b) NO (o) NO, (d) so, 2 (e) HCN (f) co (g) H,O (h) CO2 (i) NO
Cl 2. (15 points) For the SFsCl molecule: What is the point group? What is the total number of degrees of fredom -b gl 216 What is the total number of vibrational modes?3 What is the reducible representation and what are the irreducible representations of the vibrational modes? Identify which modes are Raman active, IR active, both active or neither. Determine the reducible representation. Then, determine the coefficients of the irreducible representations.
Cl 2. (15 points) For the SFsCl molecule:...
ol Name Date Find the reducible representation of NCls and identify the irreducible representations responsible for Raman and infrared active modes? Identify the respective modes in each case. pts.) 2. (20
ol Name Date Find the reducible representation of NCls and identify the irreducible representations responsible for Raman and infrared active modes? Identify the respective modes in each case. pts.) 2. (20
Q1) Provide the point group for the IR- or Raman-active
vibrational modes using the
character tables provided below. Each point group is only
represented once.
i)
IR Vibration = 2B2u + B3u ______ ii)
IR Vibration = 2B2 + E ______
iii)
IR Vibration = 3T2 ______ iv)
Raman Vibration = 2A1 + E1______
v)
IR Vibration = 2A1 + E ______ vi)
Raman Vibration = 2B3 ______
b) Which point group represents a centrosymmetric
molecule? ___________
We were unable...
The total degrees of freedom of the CIF3 molecule (T-shaped, Cav point group) are 4Ai + 3. A2+3B1+4B2. Deduce the number of absorption lines observed in the IR and Raman spectra of CIF3 (4p). Identify the number and symmetry labels of the corresponding normal vibrational modes, using the table below to report the results. (6p). IR Raman 3 #absorptions # normal vibrational modes symmetry labels of vibrational modes
8. Answer the following questions about CO2: a. What is the theoretical number vibrational modes of this molecule? b. What are factors that limit the number of observed vibrational modes? c. Explain why the symmetric stretch mode depicted here is Raman-active but IR- inactive.
4. Determine the symmetry and the number of all normal modes of vibration for methane and chloroform and identify the modes that are IR active and modes that are Raman active. How many bands would you "see” in the IR and Raman spectra for each compound?
Vibrational modes
EXERCISE 11.17: Determine the number of IR active vi- brational modes in each of the following molecules. Note: You will have to use symmetry arguments to determine which vibrations result in a net change in the molecular dipole moment. (a) SO, (b) NO (o) NO, (d) so, 2 (e) HCN (f) co (g) H,O (h) CO2 (i) NO
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