Appendix 3. Table of Spectra. Phenol, vapor and liquid. Hexanoic acid, vapor and liquid. trans-2-phenyl-1-cyanoethene Diethyl acetylenedicarboxylate

Transcription

1 Appendix 3 Table of Spectra Figure 5. Figure 6. Figure 7. Figure 8. Figure 9. Figure 1. Figure 11. Figure 12. Figure 13. Figure 14. Figure 15. Figure 16. Figure 17. Figure 18. Figure 19. Figure. Figure 21. Figure 22. Figure 23. Figure 24. Figure 25. Figure 26. Figure 27. Figure 28. Figure 29. Figure 3. Figure 31. Figure 32. Figure 33. Figure 34. Figure 35. Figure 36. Figure 37. Figure 38. Figure 39. Figure. Figure 41. Nujol N-Decane Benzene Indene 1-Heptene trans -4-Octene ortho-xylene meta-xylene Phenylacetylene Butanal Benzaldehyde Chloroform Tri-t-butylmethanol Butylamine Benzamide Diethylamine N-Methyl acetamide Triethylamine N,N-Dimethyl acetamide n-hexanol, vapor and liquid Phenol, vapor and liquid Hexanoic acid, vapor and liquid Decanoic acid 4-Chloro-2-nitrophenol Benzoic acid Benzoic acid trans-2-phenyl-1-cyanoethene Diethyl acetylenedicarboxylate Methyl acetate Ethyl n-hexanoate, vapor and liquid 5-Hexene-2-one Propionic anhydride Benzoic anhydride 3-Methylpimelic acid anhydride 2,5-Dihydrofuran 2,5-Dimethoxy-2,5-dihydrofuran 2,3-Dihydrofuran 96

2 Figure 42. Figure 43. Figure 44. Figure 45. Figure 46. Figure 47. Figure 48. Figure 49. Figure 5. Sodium benzoate 5-Methyl-3-hexene-2-one 3-Nonen-2-one Ethyl vinyl ketone 3-Penten-2-one Benzyl 4-hydroxyphenyl ketone Perfluorohydrocarbon oil Quartz ATR background 97

3 Figure IR-5. Nujol; thin film (Nujol is a trade name for mineral oil, a long chain alkane) 1 (CH 2 ) 4 rock, CH 2 symmetric and asymmetric stretches, CH 2 bending vibrations Figure IR-6. N-Decane, neat liquid, thin film: CH 2 CH 2 CH 2 CH 2 CH 2 CH 2 CH 2 CH 2 98

4 9 7 5 overtones of the benzene ring Figure IR-7. Benzene, neat, thin film: Figure IR-8. Indene; neat;.5 mm cell: 99

5 1 HC=C stretches,ch 2 symmetric and asymmetric stretches C=C stretch,ch 2 bending vibrations (CH2) 4 rocking out of plane H wag of vinyl group 9, 1 cm -1 ) Figure IR-9. 1-Heptene; neat sample, thin film: H 2 C=CH-CH 2 CH 2 CH 2 CH , CH 2 stretching vibrations, CH 2 bending vibrations Figure IR-1. trans -4-Octene, neat liquid, thin film: H CH 2 CH 2 H CH 2 CH 2 1

6 sp 2 C-H stretches overtones of the benzene ring sp 3 C-H stretches f f f Figure IR-11. ortho-xylene, neat, thin film: φ φ Figure IR-12. meta-xylene, neat, thin film: 11

7 1 carbon-carbon triple bond stretch Figure IR-13. Phenylacetylene, neat liquid; thin film: H Impurity peak, probably O-H H-C=O Figure IR-14. Butanal, neat liquid, thin film: CH 2 CH 2 CHO 12

8 1 C-H stretch of -CHO Wavenumbers, cm-1 O CH Figure IR-15. Benaldehyde, neat, thin film: cm Figure IR-16. Chloroform, thin film: CHCl 3 13

9 Figure IR-17. Tri-t-butylmethanol, KBr pellet: Me Me Me C Me Me C Me Me C OH Me Me symmetric and asymmetric NH 2 stretches NH 2 bend Wavenumbers, cm-1 Figure IR-18. Butylamine, neat liquid; thin film: CH 2 CH 2 CH 2 NH 2 14

10 1 1 symmetric and asymmetric NH 2 stretches Wavenumber, cm -1 O CNH 2 Figure IR-19. Benzamide, KBr pellet:

11 Figure IR-. Diethylamine, neat liquid; thin film: CH 2 NHCH Amide I Amide II Wavnumbers, cm -1 Figure IR-21. N-Methyl acetamide, neat liquid; thin film: CONH Figure IR-22. Triethylamine, neat liquid; thin film: ( CH 2 ) 3 N 16

12 Figure IR-23. N,N-Dimethylacetamide, neat liquid; thin film: CON( ) 2 1 vapor 12 C liquid film Figure IR-24. The liquid and vapor spectra of n-hexanol. 17

13 1 1 Vapor phase spectrum(135 C) liquid film Wavenumbers, cm-1 Figure IR-25. The liquid and vapor spectra of phenol. OH 1 1 vapor: 134 C liquid film Wavenumber, cm -1 Figure IR-26. The liquid and vapor spectra of hexanoic acid: (CH 2 ) 4 CO 2 H 18

14 Figure IR-27. Decanoic acid, neat liquid, thin film: (CH 2 ) 8 CO 2 H 1 1 symmetric and asymmetric -NO 2 stretch Wavenumbers, cm-1 Cl NO 2 Figure IR Chloro-2-nitrophenol, KBr pellet: OH 19

15 Wavenumber cm -1 COOH Figure IR-29. Benzoic acid; KBr disk: Figure IR-3. Benzoic acid, KBr; band distortions and broadening caused by poor grinding, compare 11

16 to Figure Top: CHCl 3 vs CHCl 3 Bottom: 5% in CHCl Figure IR-31. trans-2-phenyl-1-cyanoethene, in CHCl3 solution: Ph-CH=CH-CN Figure IR-32. Diethyl acetylenedicarboxylate; neat liquid: C 2 H 5 OCO-C C-CO 2 CH 2 111

17 1 Top: CHCl 3 vs CHCl 3 Bottom: 2.5 % v/v un CHCl Figure IR-33. Methyl acetate in.1 mm NaCl cells: CO vapor: 16 C liquid film Wavenumber, cm -1 Figure IR-34. Vapor and liquid spectra of ethyl n-hexanoate: CH 2 CH 2 CH 2 CH 2 CO 2 CH 2 112

18 Figure IR Hexene-2-one, neat liquid: CH 2 =CH 2 CH 2 CH 2 CO Wavenumber, cm -1 Figure IR-36. Propionic anhydride, neat liquid: CH 2 CO 2 COCH 2 113

19 1 symmetric and asymmetric O=C-O-C=O stretch O O Figure IR-37. Benzoic anhydride, KBr pellet: Ph C-O-C Ph 1 symmetric and asymmetric O=C-O-C=O stretch Figure IR Methylpimelic acid anhydride, KBr pellet: O O O 114

20 O Figure IR-39. 2,5-Dihydrofuran, neat liquid: O O O Figure IR-. 2,5-Dimethoxy2,5-dihydrofuran, neat liquid: 115

21 O Figure IR-41. 2,3-Dihydrofuran, neat liquid: CO 2 Na Figure IR-42. Sodium benzoate, KBr pellet: 116

22 Figure IR Methyl-3-hexene-2-one, tech. grade, %; neat O O Figure IR Nonen-2-one, 95%; neat liquid, thin film: CH=CH(CH2 ) 4 117

23 Figure IR-45. Ethyl vinyl ketone, neat liquid: CH 2 COCH=CH Figure IR Penten-2-one, neat liquid: CH=CHCO 118

24 Figure IR-47. Benzyl 4-hydroxyphenyl ketone, Nujol mull: O OH Figure IR-48. Perfluorohydrocarbon oil; thin film 119

25 Figure IR-49. Quartz; KBr pellet Single Beam Wavenumbers (cm-1) Figure IR-5. IR spectrum of background and of the ATR accessory. 1 1