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. 2018 Dec 19;116(1):46–51. doi: 10.1073/pnas.1817194116

Table 1.

Key geometric features and spectroscopic data for the three conformers, 2a–c

Geometric and spectroscopic data Conformer
2a 2b 2c
P‒Au, Å 2.303 2.304 2.305
Au‒Cl, Å 2.338 2.344 2.339
N‒H, Å 1.046 1.024 1.025
Au∙∙∙H, Å 2.134 *
P‒Au‒Cl, ° 178.53 176.51 178.14
N‒H∙∙∙Au, ° 174.18
νNH, cm−1 3,032 3,457 3,445
ΔνNH with PhNMe2H+ −443 −18 −30
δ 1H NMR, N–H ppm 11.94 5.64 6.31
*

—, not relevant.