. 2019 Oct 16;13(11):12880–12893. doi: 10.1021/acsnano.9b05337

Table 1. DFT-Calculated (B3LYP/6-311+G(d,p);Ga:SDD) and Experimental Ga–P Bond Lengths and DFT-Calculated Dissociation Enthalpies of GaCl₃–PEt₃, GaCl₃–PPh₃, GaCl₃–DPP, and GaCl₃–TPP.

complex	Ga–P bond length (Å), calculated	Ga–P bond length (Å), experimental	dissociation enthalpy (kcal/mol), calculated
GaCl₃–PEt₃	2.453	2.353⁴⁷	31.2
GaCl₃–PPh₃	2.487	2.372⁴⁸	27.2
GaCl₃–DPP	2.498	not available	23.0
GaCl₃–TPP	2.540	not available	14.7

Table 1. DFT-Calculated (B3LYP/6-311+G(d,p);Ga:SDD) and Experimental Ga–P Bond Lengths and DFT-Calculated Dissociation Enthalpies of GaCl3–PEt3, GaCl3–PPh3, GaCl3–DPP, and GaCl3–TPP.