Ch 14 Apps of UV-Vis

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Ch. 14: Applications of UV/Visible Absorption Spectroscopy: 

Ch. 14: Applications of UV/Visible Absorption Spectroscopy Quantitative analysis of organic, inorganic compounds in all types of laboratories

M + hv M* Electronically excited: 

M + hv  M* Electronically excited Relaxation processes M*  M + heat M*  M + hv 2M*  M’ + M’’ Not perceptible, small 10 -14 -10 -11 s Emission of a photon Fluorescence:10 -9 -10 -7 s Phosphorescence:10 -4 -10 -1 s Photochemical reaction

Absorbing electrons: 

Absorbing electrons Bonding Nonbonding bonding nonbonding Participate directly in bond formation and involve more than one atom Unshared outer electrons localized about atoms such as oxygen, halogens, sulfur and nitrogen

Slide 4: 

  n * * Bonding Bonding Nonbonding Antibonding Antibonding 128 nm 150-200 nm 200-700 nm 200-700 nm  (1000-10,000)  (100-3000)  (10-100) Increasing energy

Solvent effects: 

Solvent effects n  * Transitions shift to shorter ’s in the presence of polar solvents (water and ethanol) n  * Blue shifted in polar solvents  * Red shifted in polar solvents

Slide 6: 

 n * Bathochromic (red shift): lowering of the ground and excited state energy levels Hypsochromic (blue shift): hydrogen bonding with the solvent (  ~ 30 nm, energy of H-bond) n  *

Chromophore groups: 

Chromophore groups Excitation Identification and quantification Bonding electrons  and  Functional groups    

Absorption: Electronic transitions: 

Absorption: Electronic transitions , , and n electrons Organic molecules, inorganic ions d and f electrons First and second transition metal series, lanthanide and actinide elements Charge transfer electrons Electron donor and acceptor

Absorption: Organic molecules: 

Absorption: Organic molecules , , and n electrons Excitation of valence electrons to higher energy levels  max > 185 nm Limited # of chromophores Rough identification via functional groups Broad absorption bands

Absorption: Organic molecules Effect of conjugation: 

Absorption: Organic molecules Effect of conjugation  electrons are delocalized lowers the * orbital energy level  ex shifts to longer ’s Absorption of multiple chomophores is additive

Absorption: Inorganic anions: 

Absorption: Inorganic anions n  * transition Nitrate (313 nm) Carbonate (217 nm)

Absorption: Involving d and f electrons: 

Absorption: Involving d and f electrons Lanthanide and actinide 4 f and 5 f electrons Narrow, well defined, characteristic absorption bands First and second transition metal series 3 d and 4 d electrons Broad absorption bands

Absorption: Inorganic complexes: 

Absorption: Inorganic complexes M = metal L = ligand (H 2 O ...) Negative charge of L exerts a repulsive effect on the d orbitals and increases their energy No ligand field Octahedral ligand field d x 2 , d x 2 -y 2 d xy , d xz , d yz ∆ Energy

Absorption: Inorganic complexes: 

Absorption: Inorganic complexes M = metal L = ligand (H 2 O ...) Magnitude of ∆ depends on... Charge on the metal ion (M) position of parent element in periodic table Ligand (L) field strength I - < Br - < Cl - < F - < OH - < ... No ligand field Octahedral ligand field d x 2 , d x 2 -y 2 d xy , d xz , d yz ∆ Energy

Absorption: Charge transfer: 

Absorption: Charge transfer  max > 10,000 Must have an electron donor and electron acceptor Examples Thiocyanate: Fe(III)SCN 3 Fe(III) ( acceptor ) Fe(II) SCN - ( donor )SCN Quinhydrone 1:1 complex of quinone and hydroquinone

Quantitative Analysis: 

Quantitative Analysis Calibration curve Beer’s law: A = bc Standard Addition Multiple species A’ =  1 bc 1 +  2 bc 2 A’’ =  1 bc 1 +  2 bc 2 X equations for X unknowns Must know identity of all components Spectra must be only slightly overlapping

Derivative spectra: 

Derivative spectra 1 rst or 2 nd derivative Reveals additional spectral details Detect minor spectral features Good for turbid solutions Decreased signal to noise

Slide 18: 

Absorption spectrum First derivative (x10) Second derivative (x100)