Table 1. Calculation of number of ligands at the poles.

Entry	1H NMR integrals				DPTpole:DPTall:DDT*	DPTpole per NP†
	DPTpole‡	DPTall§	C2D2Cl4 residue	-CH3 on DDT§
1	6.00	93.31	100	88.95	1: 15.5: 44.4	7.6 (5.4–10.2)
2	7.82	172.70	100	139.73	1: 22.1: 53.6	5.1 (3.1–7.6)
3	8.80	148.05	100	116.88	1: 16.8: 39.8	8.6 (6.4–11.1)
4	10.86	263.05	100	148.53	1: 24.2: 41	7.2 (4.8–10.0)
5	14.20	330.67	100	185.99	1: 23.3: 39.3	7.0 (4.3–10.4)
6	12.14	228.41	100	113.37	1: 25.7: 38.3	6.9 (4.7–9.4)

DDT, dodecanethiol; DPT, diphenyl thiol; NP, nanoparticle.

^*Calculated by using the integral of solvent residue as a reference.

^†Calculation (entry 1 as an example): (1) the average ligand number is calculated based on the particle size (458 ligands for a 4.87-nm large particle). (2) Given he value of DPT_all:DDT, the average number of overall DPT per particle is calculated (118.5). (3) Given the value of DPT_pole:DPT_all, the average number of DPT pole ligand is calculated (7.6). (4) Considering the particle size deviation (4.87±0.82), the range of ligand number per particle is 232–613. Accordingly, the number of pole ligand is in the range of 5.4-10.2.

^‡By deconvolution of NMR peak via Gaussian–Lorentzian fit.

^§By NMR integral after thermal cleavage of ligands.