Table 2. Geometrical Parameters of PAHs Adsorbed on Forsterite Surfaces^a.

	(C–Mg)	(C–M)			[nC–nMg]	[nC–nM]	C.P.
naphthalene:
[010]-fo22	2.61		120.21	176.18	5–2		5
Fe-[010]-fo22	2.51	2.43	120.02	172.04	2–1	3–1	5
Ni-[010]-fo22	2.64	2.42	120.04	178.14	2–1	3–1	5
anthracene:
[010]-fo	2.65		120.82	173.06	6–2		6
Fe-[010]-fo	2.70	2.40	120.47	176.65	3–2	3–1	6
Ni-[010]-fo	2.73	2.41	120.38	177.05	3–2	3–1	6
fluoranthene:
[010]-fo	2.68		125.34	174.68	7–3		7
Fe-[010]-fo	2.62	2.56	125.73	176.99	3–2	4–1	7
Ni-[010]-fo	2.52	2.62	126.02	177.83	2–1	4–1	6
pyrene:
[010]-fo	2.72		120.79	179.15	5–2		5
Fe-[010]-fo	2.64	2.61	121.19	175.30	3–1	4–1	7
Ni-[010]-fo	2.66	2.50	120.86	177.64	3–1	4–1	7
coronene:
[010]-fo	2.73		120.92	175.63	11–4		11
Fe-[010]-fo	2.63	2.51	120.97	174.78	7–3	3–1	10
Ni-[010]-fo	2.68	2.46	120.80	177.90	5–3	3–1	8
benzocoronene:
[010]-fo22	2.71		120.61	176.29	11–4		11
Fe-[010]-fo22	2.66	2.47	120.46	178.90	8–4	3–1	11
Ni-[010]-fo22	2.67	2.48	120.43	179.18	8–4	3–1	11
fullerene:
[010]-fo	2.74		113.49	139.00	4–2		4
Fe-[010]-fo		2.10	106.82	133.63		2–1	2
Ni-[010]-fo	2.81	2.09	111.65	143.19	1–1	2–1	3

^aReported are the average distances in Angstrom (Å), average angles and dihedral angles in degrees (deg), number (n) of atoms (C, Mg, or M) interacting with each other (e.g., [ nC–nMg ]), and the number of contact points (C.P.), which is the sum of C atoms interacting with either an Mg or transition metal. The average values are calculated from the geometrical parameters reported in the Supporting Information. M is the transition metal (e.g., Fe or Ni) of the corresponding surface (e.g., Fe for Fe-[010]-fo). Missing values shows no interaction between the atoms.