molecular ion peak
peak on spectrum formed when molecule looses an electron forming a positive ion and an electron
- on far right of spectrum (small M+1 peak after it)
what does molecular ion peak tell us?
the Mr of the compound
fragment ions
when molecular ion is broken down through fragmentation producing fragment ion + RADICAL
products of fragmentation
positive ion
uncharged radical - UNDETECTED
how does IR spectroscopy work?
- atoms are joined by covalent bonds which contain energy and vibrate (increase as temp increase)
- bond absorbs radiation at same frequency as bond
- increases its vibrations
2 types of movement by covalent bonds
stretch
bend
how does global warming link to IR radiation
- most of suns radiation doesn’t disturb atmospheric gases
- some radiation re-emitted from earth and is longer wavelength IR radiation
- absorbed in bonds In CO2, water vapour and methane
- causing bonds to vibrate more and re-emit this energy as radiation which increases atmospheric temp close to the earths surface = global warming
fingerprint region
below 1500cm-1
use of fingerprint region
identify specific molecules as region is unique to each compound
O-H (alcohol) wavenumber
3200-3600
C-H wavenumber
2850-3100
C=O wavenumber
1630-1820
O-H (carb. acid) wavenumber
2500-3300 broad
applications of IR spectroscopy
- pollutants can be identified using IR fingerprint region - remote sensors used to analyse IR spectra of vehicle emissions to monitor local pollution
- breathalysers - pass beam of IR radiation through breath to detect ethanol
order of use of analysis for unknown compound
1) elemental - find empirical formula
2) mass spec - find molecular mass from molecular ion peak - fragment ions identify different sections of molecule
3) IR spec. - identify bonds and functional groups
what does NMR use (2)
- magnetic frequency
- radio frequency radiation
how does NMR work
(odd number) of nuclei spin -
has 2 different spin states, in right conditions (high frequency radiation and strong magnetic field) nucleus rapidly flips between 2 states = RESONANCE
typical NMR radiowave frequencies
100, 200 or 400 MHz
chemical shift
- units
difference in radio frequencies absorbed by nuclei in molecule being analysed and same nuclei in TMS
- ppm
why deuteriated solvents?
doesn’t contain H1 - therefore won’t have signal on spectrum for NMR
typical deuterated solvent
CDCl3
what does C13 NMR tell us (2)
- from what?
- number of C environments (number of peaks)
- types of C environments (chemical shift)
what does proton NMR tell us (4)
- from what?
- number of H environments (number of peaks)
- type of environment (chemical shifts)
- relative number of H in each environment (relative area of signals)
- number of Hs on adjacent carbons (splitting patterns)
what causes splitting?
- what does it tell us?
H atoms on adjacent carbons
N+1 rule
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KEY TERMS29
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MUST KNOW19
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general10
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units4
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Atoms, ions and compounds43
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Amount of a substance15
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Redox23
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bonding + shapes of molecules40
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periodicity + reactivity26
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Enthalpy62
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organic chem - alkanes and alkenes96
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spectroscopy38
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Rates + Equilibrium55
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acids + bases51
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electrochemistry and cells42
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aromatic compounds18
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carbonyls and carboxylic acids42
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amines, amino acids and polymers43
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synthesis20
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transition metals11
