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. Author manuscript; available in PMC: 2016 May 31.
Published in final edited form as: Langmuir. 2012 Nov 26;28(49):17202–17210. doi: 10.1021/la3031396

Table 2.

Bond Lengths (Å) and Absolute Differences (Å) between CNOs (without Pt) and CNOs with Pt1–3 Atoms Located at a Coronene(a) Central Hexagon or a Corannulene(b) Central Pentagona

bond bond length CNOs CNOs-1Pt/CNOs bond length 1Pt/CNOs CNOs-2Pt/CNOs bond length 2Pt/CNOs CNOs-3Pt/CNOs bond length 3Pt/CNOs
C(1)–C(2)(a) 1.433 0.027 1.460 0.055 1.488 0.053 1.486
C(2)–C(3)(a) 1.427 0.056 1.483 0.055 1.482 0.050 1.477
C(3)–C(4)(a) 1.432 0.028 1.460 0.030 1.462 0.033 1.465
C(4)–C(5)(a) 1.427 0.007 1.420 0.008 1.419 0.016 1.411
C(5)–C(6)(a) 1.432 0.009 1.441 0.005 1.437 0.034 1.466
C(6)–C(1)(a) 1.426 0.006 1.420 0.011 1.437 0.051 1.477
C(1)–C(2)(b) 1.419 0.005 1.414 0.023 1.442 0.043 1.462
C(2)–C(3)(b) 1.421 0.026 1.447 0.068 1.489 0.024 1.445
C(3)–C(4)(b) 1.421 0.079 1.500 0.021 1.442 0.041 1.462
a

LSDA/D95 for carbon atoms and LSDA/SDD for Pt atoms.