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

Table 7. Bond Lengths (r) in Å of Free and Adsorbed Benzene and Phenyl.

system r(C–H) r(C–C) r(C–Ni)
C6H6 1.091 1.397  
C6H6 (expt)a 1.084 1.397  
C6H6/Ni(111) 1.093, 1.095 1.434, 1.450 2.060, 2.085
C6H5 1.091, 1.092 1.405, 1.376, 1.398  
C6H5 (tilted)/Ni(111) 1.092, 1.095 1.438, 1.459, 1.433 2.237, 2.002, 2.411, 2.076, 2.487, 2.305, 1.905
a

Reference (49).