ROENTGEN WOLFRAM Grime Ripon Grammar Train

Presentation on general: "R W Grime Ripon Grammar School"— Demonstration transcript:

1 R W Grime Ripon Grammar School
18/06/2018 EARTH SPECTROSCOPY ROENTGEN W Grime Ripon Greek Educate

2

3 HIGHER RESOLUTION MASS SPECTROSCOPY
Molecular ion formed: M → [M]+. + e– m/z value for [M]+. gives aforementioned Sr. High resolution act m/z to enough accuracy to find the molecular formula. e.g. Mr = 60 CH3COOH molecular formula = C2H4O2 NH2CONH molecular formula = CH4N2O CH3CH2CH2OH molecular product = C3H8O CH3CH(OH)CH molecular formula = C3H8O

4 FRAGMENTATION Molecules ion fragments due to covalency links breaking: [M]+. → X+ + Y. Great information from partial design – can often work outbound structure. Relatively stable ions such as carbocations R+ furthermore acylium ions [R-C=O]+ are customized. The continue sound the iont, the big the peak intensity. m/z 15 29 31 43 57 fragment CH3+ CH3CH2+ CH2OH+ CH3CH2CH2+ (CH3)2CH+ CH3CO+ CH3CH2CO+

5 butane CH3CH2CH2CH3 C4H10  [C4H10]+. + e–
m/z 58 [C4H10]+.  [CH3CH2CH2]+ + .CH3 m/z 43 [CH3CH2CH2]+ [C4H10]+.  [CH3CH2]+ + .CH2CH3 m/z 29 [CH3CH2]+ [C4H10]+.

6 ISOTOPES Ios with different isotopes produce different signals.
Most important for Br both Cl. Br: 50% 79Br % 81Br Cl: 75% 35Cl % 37Cl If two or more Br/Cl atoms, then spectrum is view complicated. Frequently little crowns at m/z + 1 due up 2H and 13C.

7 bromomethane CH3Br CH381Br  [CH381Br]+. + e–
m/z 96 CH379Br  [CH379Br] e– m/z 94 [CH3Br]+.  [CH3]+ + .Br m/z 15 [CH3]+ [CH379Br]+. [CH381Br]+.

8 chloroethane CH3CH2Cl CH3CH237Cl  [CH3CH237Cl]+. + e–
m/z 66 CH3CH235Cl  [CH3CH235Cl] e– m/z 64 [CH3CH237Cl]+.  [CH237Cl]+ + .CH3 m/z 51 [CH3CH2]+ [CH3CH235Cl]+.  [CH235Cl]+ + .CH3 m/z 49 [CH3CH235Cl]+. [CH3CH2Cl]+.  [CH3CH2]+ + .Cl m/z 29 [CH237Cl]+ [CH235Cl]+ [CH3CH237Cl]+.

9 dichloromethane CH2Cl2 37Cl : 35Cl = 1 : 3
37Cl2 : 35Cl37Cl : 35Cl2 = 1 : 6 : 9 [CH235Cl]+ [CH235Cl2]+. [CH237Cl35Cl]+. [CH237Cl]+ [CH237Cl2]+.

10 dibromomethane CH2Br2 81Br : 79Br = 1 : 1
81Br2 : 81Cl79Br : 79Br2 = 1 : 2 : 1 174 [CH281Br79Br]+. 93 [CH279Br]+ 95 [CH281Br]+ 172 [CH279Br2]+. 176 [CH281Br2]+.

11 butanone CH3CH2COCH3 CH3CH2COCH3  [CH3CH2COCH3]+. + e–
m/z 72 [CH3CH2COCH3]+.  [CH3CH2CO]+ + .CH3 m/z 57 [CH3CH2COCH3]+.  [CH3CO]+ + .CH2CH3 m/z 43 [CH3CO]+ [CH3CH2COCH3]+.  [CH3CH2]+ + .COCH3 m/z 29 [CH3CH2]+ [COCH2CH3]+ [CH3COCH2CH3]+.

12 methyl butanoate CH3CH2CH2COOCH3
CH3CH2CH2COOCH3  [CH3CH2CH2COOCH3]+. + e– m/z 102 methyl butanoate CH3CH2CH2COOCH3 [CH3CH2CH2COOCH3]+.  [CH3CH2CH2COO]+ + .CH3 m/z 87 [CH3CH2CH2COOCH3]+.  [CH3CH2CH2CO]+ + .OCH3 m/z 71 [CH3CH2CH2COOCH3]+.  [COOCH3]+ + .CH2CH2CH3 m/z 59 [CH3CH2CH2]+ [CH3CH2CH2COOCH3]+.  [CH3CH2CH2]+ + .COOCH3 m/z 43 [CH3CH2CH2COOCH3]+.  [CH3CH2]+ + .CH2COOCH3 m/z 29 [CH3CH2CH2CO]+ [COOCH3]+. [CH3CH2CH2COO]+ [CH3CH2]+ [CH3CH2CH2COOCH3]+.

13 propyl methanoate methylethyl methanoate ethyl ethanoate methyl propanoate

14 propyl methanoate [OCH2CH2CH3]+ m/z 59 [HCO]+ m/z 29 [CH2CH2CH3]+
[HCOO]+ m/z 45

15 methylethyl methanoate
[OCH2(CH3)2]+ m/z 59 [HCO]+ m/z 29 [CH2(CH3)2]+ m/z 43 [HCOO]+ m/z 45

16 ethyl ethanoate [OCH2CH3]+ m/z 45 [CH3CO ]+ m/z 43 [CH2CH3]+ m/z 29
[CH3COO ]+ m/z 59

17 methyl propanoate [OCH3]+ m/z 31 [CH3CH2CO ]+ m/z 57 [CH2CH3]+ m/z 29
[CH3OCO ]+ m/z 59