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Frenkel and Schottky are intrinsic or extrinsic defects, point or linear defects.
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- What is the stoichiometry for Fe3O4? What point defects will be associated with a Frenkel defect in Fe3O4.How does fluorescence work in bulk semiconductors?Vanadium oxide, V2O3, crystallizes in the space-group symmetry R¯3c with lattice parameters a = 4.954 °A and c = 14.00 A° . Calculate the interplanar spacing, d, and Bragg peak positions, 2θ, for the 104 (the strongest Bragg peak) and for the 012 (the lowest Bragg angle peak) reflections assuming Cu Kα1 radiation with λ = 1.5406 A°.
- !determine:(i) the point group to which thiophene (C 4 H 4 S) belongs;(ii) the number of internal degrees of freedom for thiophene;(iii) the irreducible representation for thiophene;(iv) the number of IR active C-H stretching modes for thiophene;(v) the number of Raman active C-H stretching modes for thiophene.The molecule with simple formula N2F2 has several isomers; two of these isomers have central nitrogens, with a terminal fluorine on each nitrogen. Show the Lewis Dot Diagram. For the cis isomer : What is the point group? (include formal charges, if any). Write also the main symmetry elements How many IR bands bands would you expect if vib = 3A1 + A2 +2B2? For the trans isomer : What is the point group? (include formal charges, if any). Write also the main symmetry elements How many IR bands bands would you expect if vib = 3Ag + Au +2Bu?
- Sketch the hyperfine structure of deuterium (1 = 1) for 1² S₁, 2² P₁ and 2² P3 as well as 3² D3 and 3²D5! 1' and 2² Pº3 2 2 2 2 2The FEMO theory of conjugated molecules is crude and marginally better results are obtained with simple Huckel theory. (a) For a linear conjugated polyene with each of N carbon atoms contributing an electron in a 2porbital, the energies Ek of the resulting π molecular orbitals are given by: Ek = α + 2β cos kπ/N+1 k = 1,2,3, ... N Use this expression to estimate the resonance integral β for the series consisting of ethene, butadiene, hexatriene, and octatetraene given that ult raviolet absorptions from the HOMO, which is a bonding π orbital, to the LUMO, which is an antibonding π* orbital, occur at 61 500, 46 080, 39 750,and 32 900 cm- 1, respectively. (b) Calculate the π-electron delocalization energy, Edelcc = Eπ -n(α + β). of octatetraene, where Eπ, is the total π-electron binding energy and n is the total number of π-electrons.The chlorophylls that participate in photosynthesis and the haem (heme) groups of cytochromes are derived from the porphine dianion group (8), which belongs to the D4h point group. The ground electronic state is A1g and the lowest-lying excited state is Eu. Is a photon-induced transition allowed from the ground state to the excited state? Explain your answer.
- What would be the lowest possible excitation energy for benzene in this model? Give your answer in units of β.Consider the plane group p31m, explain: What is the detailed full meaning for p in this case? What is the detailed full meaning for 3 in this case? What is the detailed full meaning for 1 in this case? What is the detailed full meaning for m in this case? What symmetry elements are not explicitly listed in the plane group symbol but exist in the actual plane group unit cell? What is the orientation of each of all the symmetry elements identified in the previous question?What are the three most common ordered magnetic domain states for a crystal?
