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. 2017 Jul 7;2(7):3214–3227. doi: 10.1021/acsomega.7b00356

Table 9. C–H, C–C, C–N, and N–H Vibrational Frequencies (in cm–1) of the Gas Phase and Adsorbed C6H6, C6H5, C6H5NH2, and C6H5NH.

  gas phasea adsorbed on a Ni(111) surfacea gas phase (expt)b adsorbed on a Ni(111) surface (expt)c
C6H6
C–H stretch (e1u) 3122 3086 3062 3025
  3121 3084 3068  
  3106 3074 3063  
  3105 3065 3047  
C–C stretch (e2g) 1586 1439 1596 1425
  1586 1422 1596  
C6H5
C–H stretch (a1) 3108 3089 3086  
  3105 3084 3072  
  3093 3071 3037  
  3088 3061 3060  
C–C stretch (b2) 1590 1426 1593  
  1527 1421 1497  
C6H5NH2
N–H stretch (b2) 3580 3486 3500  
N–H stretch (a1) 3479 3394 3418  
C–H stretch (b2) 3125 3096 3053  
C–H stretch (a1) 3108 3087 3041  
C–C stretch (a1) 1612 1553 1619  
C–C stretch (b2) 1599 1446 1590  
C–N stretch (a1) 1280 1137 1279  
C–H bending (a1) 1168 1114 1173  
C6H5NH
N–H stretch 3313 3291    
C–H stretch 3129 3129    
  3122 3113    
C–C stretch 1551 1578    
  1522 1566    
C–N stretch 1303 1237    
  1155 1196    
a

This work.

b

Reference (53) (for C6H6), ref (62) (for C6H5), and ref (63) (for C6H5NH2).

c

Reference (64).