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Please explain in detail so that I understand 6. The harmonic vibrational frequency in wavenumbers of the DCI molecule...
I. Assuming that it acts as a rigid rotor, harmonic oscillator and using the molecular constants...
I. Assuming that it acts as a rigid rotor, harmonic oscillator and using the molecular constants for ,C-O given below, calculate the wavenumbers of the first transitions in both the P and the R branch of the fundamental vibrational transition, the first overtone and the first hot band B 1.931 cm vo 2169.81 cm1
The HF/6-31G(d) harmonic vibrational frequency of Cl2 is 600 cm1. Calculate its vibrational partition function based...
The HF/6-31G(d) harmonic vibrational frequency of Cl2 is 600 cm1. Calculate its vibrational partition function based on the harmonic oscillator approximation at 298 K. Report your calculated value to 2 decimal places. Answer:
Please explain your answer The HF/6-31G(d) harmonic vibrational frequency of H2 is 4643 cm-1. Calculate is...
Please explain your answer
The HF/6-31G(d) harmonic vibrational frequency of H2 is 4643 cm-1. Calculate is vibrational partition function based on the harmonic oscillator approximation at 5000 K. Answer:
6. Consider the bond vibration of a homo-atomic diatomic molecule. In the harmonic approximation the vibrational...
6. Consider the bond vibration of a homo-atomic diatomic molecule. In the harmonic approximation the vibrational energy levels are given by, Where v = 0,1,..., and w = 6.1 x 1014 5-1. Let us assume this vibrational mode is IR active. A photon of energy E = hc/, is absorbed by the molecule and induces a fundamental vibrational transition. (a) What is the wavelength of the resulting IR absorption peak in nm? [6 marks] (b) Is it reasonable to assume...
1. The fundamental vibration of 1H19F is at 3961.64 cm-1. Using the harmonic oscillator model, calculate...
1. The fundamental vibration of 1H19F is at 3961.64 cm-1. Using the harmonic oscillator model, calculate the “force constant” of the bond (in N/m) and use this value to predict the fundamental frequency of both 2H19F and 1H18F in wavenumbers. Briefly explain why the fundamental frequencies are so different. (amu masses: 1H = 1.0078, 2H = 2.0140, 18F=18.0009, 19F=18.9984) 2. What is the fundamental frequency of the vibrational mode best described by the term “symmetric stretch”?
2. The vibrational frequency of gaseous N O is 1904 cm. Assume this molecule is a harmonic oscillator 2.1 What is the energy of the electromagnetic wave corresponding to this vibrational frequenc...
2. The vibrational frequency of gaseous N O is 1904 cm. Assume this molecule is a harmonic oscillator 2.1 What is the energy of the electromagnetic wave corresponding to this vibrational frequency? 2.2 Calculate the force constant of "NO 2.3 Calculate the vibrational frequency of gaseous N O. The isotopic effect does not change the force constant of the harmonic oscillator. 2.4 When "N'O is bound to hemoglobin A (Hb or Hgb, the iron-containing oxygen-transport metalloprotein in the red blood...
The harmonic frequency (ωe= ħ ω/(hc)) for the HCl (g) molecule is 2991cm-1. a. Find the...
The harmonic frequency (ωe= ħ ω/(hc)) for the HCl (g) molecule is 2991cm-1. a. Find the spring constant k, in SI units. b. Find the approximate wavelength of the 01 vibrational transition. c. Find the approximate wavelength of the 02 vibrational transition.
The diatomic molecule boron nitride, 11B14N was studied by the spectroscopist Gerhard Herzberg in 1940. It...
The diatomic molecule boron nitride, 11B14N was studied by the spectroscopist Gerhard Herzberg in 1940. It was produced via a discharge involving boron trichloride and dinitrogen in the presence of helium. a) Given that the fundamental transition occurs at 1490.0 cm-1 and the first overtone at 2955.4 cm-1, determine the harmonic wavenumber and the anharmonicity. b) Given that the centrifugal distortion constant is 8.1 x 10-6 cm-1, determine the rotational constant of the molecule. State any approximations made. Ignore rotational-vibrational...
Please explain you solution The HF/6-31G(d) harmonic vibrational frequency for Cl2 is 600 cm-7. What is...
Please explain you solution
The HF/6-31G(d) harmonic vibrational frequency for Cl2 is 600 cm-7. What is its vibrational energy (including zero-point vibrational energy) at 298 K? Select one: O O a. 4.01 kJ/mol b. 2.48 kJ/mol c. 0.42 kJ/mol d. 3.59 kJ/mol
I know how to do A but not sure how to do B, C and D....
I know how to do A but not sure how to do B, C and D.
Thank you so much!
5. Vibration of diatomic molecule (20 points total) The adjacent figure shows the experimentally detemined potential energy curve of the electronic ground state of Br2 with a few of the vibrational levels. The vibrational transitions are reasonably well described by a harmonic-oscillator model but much more accurately by including a small anharmonic correction term: En/hc = e(n +1/2) - exe(n...
I. Assuming that it acts as a rigid rotor, harmonic oscillator and using the molecular constants for ,C-O given below, calculate the wavenumbers of the first transitions in both the P and the R branch of the fundamental vibrational transition, the first overtone and the first hot band B 1.931 cm vo 2169.81 cm1
The HF/6-31G(d) harmonic vibrational frequency of Cl2 is 600 cm1. Calculate its vibrational partition function based on the harmonic oscillator approximation at 298 K. Report your calculated value to 2 decimal places. Answer:
Please explain your answer
The HF/6-31G(d) harmonic vibrational frequency of H2 is 4643 cm-1. Calculate is vibrational partition function based on the harmonic oscillator approximation at 5000 K. Answer:
6. Consider the bond vibration of a homo-atomic diatomic molecule. In the harmonic approximation the vibrational energy levels are given by, Where v = 0,1,..., and w = 6.1 x 1014 5-1. Let us assume this vibrational mode is IR active. A photon of energy E = hc/, is absorbed by the molecule and induces a fundamental vibrational transition. (a) What is the wavelength of the resulting IR absorption peak in nm? [6 marks] (b) Is it reasonable to assume...
2. The vibrational frequency of gaseous N O is 1904 cm. Assume this molecule is a harmonic oscillator 2.1 What is the energy of the electromagnetic wave corresponding to this vibrational frequency? 2.2 Calculate the force constant of "NO 2.3 Calculate the vibrational frequency of gaseous N O. The isotopic effect does not change the force constant of the harmonic oscillator. 2.4 When "N'O is bound to hemoglobin A (Hb or Hgb, the iron-containing oxygen-transport metalloprotein in the red blood...
Please explain you solution
The HF/6-31G(d) harmonic vibrational frequency for Cl2 is 600 cm-7. What is its vibrational energy (including zero-point vibrational energy) at 298 K? Select one: O O a. 4.01 kJ/mol b. 2.48 kJ/mol c. 0.42 kJ/mol d. 3.59 kJ/mol
I know how to do A but not sure how to do B, C and D.
Thank you so much!
5. Vibration of diatomic molecule (20 points total) The adjacent figure shows the experimentally detemined potential energy curve of the electronic ground state of Br2 with a few of the vibrational levels. The vibrational transitions are reasonably well described by a harmonic-oscillator model but much more accurately by including a small anharmonic correction term: En/hc = e(n +1/2) - exe(n...
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