Sunteți pe pagina 1din 12

Chapter 1

Introduction to Spectroscopy
What is spectroscopy?
• Latin “spectron” : ghost or spirit
Greek “σκοπειν” : to see
• the study of properties of matter through its interaction
(absorption, emission, or scattering) with the different
frequency component of the electromagnetic
spectrum
Units

 Wavelength (l) in cm, m, nm


 Frequency in reciprocal seconds, s-1 or Hz
(1 s-1 = 1 Hz)
 Wavenumber in reciprocal meters, m-1
 Energy in joules, J or kcal

E=hu where C = energy in joules


h = Planck’s constant,
E=hc/l 6.63 x 10-34 J s
• With light, you aren’t looking directly at the molecule—the
matter—but its “ghost.” You observe the light’s interaction
with different degrees of freedom of the molecule.

• Each type of spectroscopy—different light frequency—gives


a different picture → the spectrum.

• Spectroscopy is a general methodology: can be


adapted in many ways to extract the information you need
(energies of electronic, vibrational, rotational states,
structure and symmetry of molecules, dynamic information)
Applications in Structure Elucidation

Radiation & Effect Information Deduced


on the Molecule

UV (190-400 nm);  Extent of p electron systems


VIS (400-800 nm)
 Presence of conjugated
- Changes in electronic multiple bonds
energy levels within the
molecule  Conjugation with nonbonding
electrons
Applications in Structure Elucidation

Radiation & Effect Information Deduced


on the Molecule

IR (MID IR) (400-4000


cm-1; 2.5-25 um)
 Detection of functional groups
-Changes in the with specific vibration
vibrational and rotational frequencies
movements of the
molecule
Applications in Structure Elucidation

Radiation & Effect Information Deduced


on the Molecule

Microwave (9.5 x 109 Hz)  Detection of free radicals


and the interaction of the
- Electronic spin electron with nearby
resonance or electron protons
paramagnetic resonance
induces changes in
magnetic properties of
unpaired electrons
Applications in Structure Elucidation

Radiation & Effect Information Deduced


on the Molecule
Radiofrequency (60-600
MHz)  Detection and quantity of
hydrogen and carbon
- Nuclear magnetic atoms in different
resonance induces environments
changes in the magnetic
properties of certain
atomic nuclei, notably
that of 1H and the 13C
isotopes
Applications in Structure Elucidation

Radiation & Effect Information Deduced


on the Molecule

Electron beam impact  Determination of molecular


(70 eV, 6000 kJ/mol) mass and deduction of
molecular structures from
- Ionization and the fragments produced
fragmentation of the
molecule into a
spectrum of fragment
ions
Essential Features in Instrumentation

 Source of radiation
 Sample holder
 Frequency analyzer (for UV,IR,NMR);
mass analyzer (for MS)
 Detector
 Recorder
Comparison among the spectroscopic methods
UV-Vis IR NMR MS

Identifies functional group + +++ ++ ++

Measures complexity + + ++ +++

Sensitivity (sample size required) +++ +++ + +++

Quantitative information +++ ++ ++ +

Interpretability of data + ++ +++ +

Theory needed to interpret spectra ++ +++ + ++

Ease of instrument operation +++ +++ ++ +

Instrument cost, running cost +++ +++ ++ +

S-ar putea să vă placă și