. Author manuscript; available in PMC: 2010 Jan 19.

Published in final edited form as: Chem Mater. 2008 Sep 9;20(17):5491–5499. doi: 10.1021/cm801072r

Table 4.

Energy-minimized layer spacings for simulated and real ZrP structures.

Surface phosphonate ligand(s)	Model layer spacing (A)	Experimental (001) X-ray spacing (A)
phenyl	15.4^*	15.1^†
octyl	24.0	22.8
EON	30.4	29.8
MOUD	32.2	32.3
octyl/MOUD (1:1 interdigitating)	28.9	28.4

Three-layer model.

^†

Datum from Poojaray et al.¹¹