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Long Answer: Answer each question completely 9. (14 Points each) For each of the following species:...
What does Density Functional Theory (DFT) enable someone to do that you cannot with group theory....
What does Density Functional Theory (DFT) enable someone to do that you cannot with group theory. I know that group theory enables you to assign a point group to a molecule which represents its overall symmetry, assign translational, rotational, and vibrational modes, and determine which of these vibrational modes are IR or Raman active. What does DFT offer that group theory doesn't?
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:...
Problems 85 3.9 Which of the following species contain a C4 axis and 3.27 Six of the nine vibrati...
please answer highlighted questions
Problems 85 3.9 Which of the following species contain a C4 axis and 3.27 Six of the nine vibrational degrees of freedom of SiF are IR active. Why are IR absorptions observed only at 389 and 1030 cm for this compound? 3.10 How many mirror planes do each of the following molecules contain: (a) SF" (b) H2S; (c) SF" (d) 3.28 AICİ6 belongs to the D2hpoint group: SOF: () SO () SO,? 3.11 (a) What structure...
Question 2.3 Consider the following molecules: HCI H2 CHA CO2 For each of the following questions...
Question 2.3 Consider the following molecules: HCI H2 CHA CO2 For each of the following questions state the gross selection rule and for the vibrational spectroscopy, indicate which vibrational modes would be active. a. Which would give an infrared spectrum? b. A pure rotational microwave spectrum? C. A rotational Raman spectrum? d. A vibrational Raman spectrum?
3. (18 points) For each of the following molecules, determine:
For each of the following molecules, determine: How many valence electrons are in the molecule the Lewis dot structure the base shape for all central atoms the actual shape for all central atoms The hybridization for all central atoms if the molecule is polar and show the partial charges and dipoles draw the hybridized bonding structure (just show bonding orbitals) a SeF4 d BF3 b. IBr2+ e. CS2 c. AIF63- f. CICN
Hello, can you help me with any of these questions please? Any help would be much appreciated. Using diagrams indic...
Hello, can you help me with any of these questions please? Any
help would be much appreciated.
Using diagrams indicate the symmetry elements present for each of the two isomers cis- and trans-[Mo(CO)(L)2] (IV and V). Assign the point groups of IV and V. Taking the four CO triple bonds of the carbonyl ligands (Si -S4) as your basis set, work out the reducible representation spanned by these bonds for the cis isomer V, below. IK OEC O SE Using...
please answer all the parts 1.) For each molecule below indicate how IR and H NMR...
please answer all the parts
1.) For each molecule below indicate how IR and H NMR may be used to identify the molecule specific). 2.) For each circled hydrogen above indicate what multiplicity would be observed and draw the shape of the peak. 3.) Indicate which position would be brominated most effectively and draw the structure of the product from the radical bromination reaction
2. Answer the following questions. a. Draw the Lewis structures for each molecule in the box...
2. Answer the following questions. a. Draw the Lewis structures for each molecule in the box provided. The exact identity of the central atoms and is unknown. Central atoms and are identified by ir group and possible principle energy levels, n. Calculations to support your structure must be shown in order to earn credit X here is a group 15 element and n23 where is a group 16 element and 23
Chapters 21 and 22 1. Consider the structure shown on the right and answer the following question...
please help with questions!
Chapters 21 and 22 1. Consider the structure shown on the right and answer the following questions about it (fill in blanks or circle proper choice). f4 tl a. Its molecular formula is CH,O 似 and so it fits the general formula for a carbohiydrate, which is C(O b. Specifically, this structure is (a D) an L.) (aldojketo) (pent/hex (ase/ c. Will it be optically active? s d. If the top carbon was converted to a...
1a-h Chapters 21 and 22: 14 1. Consider the structure shown on the right and answer...
1a-h
Chapters 21 and 22: 14 1. Consider the structure shown on the right and answer the following (4 questions about it (fill in blanks or circle proper choice). a. Its molecular formula is C H O and so it fits the general formula for a carbohydrate, which is Ca b. Specifically, this structure is (a D/ an L) (aldo/keto) (pent/hex) (ase/ose). c. Will it be optically active?_ d. If the top carbon was converted to a CH,OH, would it...
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:...
please answer highlighted questions
Problems 85 3.9 Which of the following species contain a C4 axis and 3.27 Six of the nine vibrational degrees of freedom of SiF are IR active. Why are IR absorptions observed only at 389 and 1030 cm for this compound? 3.10 How many mirror planes do each of the following molecules contain: (a) SF" (b) H2S; (c) SF" (d) 3.28 AICİ6 belongs to the D2hpoint group: SOF: () SO () SO,? 3.11 (a) What structure...
Question 2.3 Consider the following molecules: HCI H2 CHA CO2 For each of the following questions state the gross selection rule and for the vibrational spectroscopy, indicate which vibrational modes would be active. a. Which would give an infrared spectrum? b. A pure rotational microwave spectrum? C. A rotational Raman spectrum? d. A vibrational Raman spectrum?
Hello, can you help me with any of these questions please? Any
help would be much appreciated.
Using diagrams indicate the symmetry elements present for each of the two isomers cis- and trans-[Mo(CO)(L)2] (IV and V). Assign the point groups of IV and V. Taking the four CO triple bonds of the carbonyl ligands (Si -S4) as your basis set, work out the reducible representation spanned by these bonds for the cis isomer V, below. IK OEC O SE Using...
please answer all the parts
1.) For each molecule below indicate how IR and H NMR may be used to identify the molecule specific). 2.) For each circled hydrogen above indicate what multiplicity would be observed and draw the shape of the peak. 3.) Indicate which position would be brominated most effectively and draw the structure of the product from the radical bromination reaction
2. Answer the following questions. a. Draw the Lewis structures for each molecule in the box provided. The exact identity of the central atoms and is unknown. Central atoms and are identified by ir group and possible principle energy levels, n. Calculations to support your structure must be shown in order to earn credit X here is a group 15 element and n23 where is a group 16 element and 23
please help with questions!
Chapters 21 and 22 1. Consider the structure shown on the right and answer the following questions about it (fill in blanks or circle proper choice). f4 tl a. Its molecular formula is CH,O 似 and so it fits the general formula for a carbohiydrate, which is C(O b. Specifically, this structure is (a D) an L.) (aldojketo) (pent/hex (ase/ c. Will it be optically active? s d. If the top carbon was converted to a...
1a-h
Chapters 21 and 22: 14 1. Consider the structure shown on the right and answer the following (4 questions about it (fill in blanks or circle proper choice). a. Its molecular formula is C H O and so it fits the general formula for a carbohydrate, which is Ca b. Specifically, this structure is (a D/ an L) (aldo/keto) (pent/hex) (ase/ose). c. Will it be optically active?_ d. If the top carbon was converted to a CH,OH, would it...
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