Table 2.

Computed Photochemical Properties of Benzophenone and ARC Derivatives^a

	C-N BDE (kcal/mol)	${\text{S}}_0{E}_{A/A^{•-}}$ (V)	${\text{S}}_1{E}_{A/A^{•-}}$ (V)	${\text{T}}_1{E}_{A/A^{•-}}$ (V)	HM2 (kcal/mol)	ET2 (kcal/mol)
BP-DMPT	52.4	−1.81	1.53	1.10	−16.8	12.6
ARC-DMPT	52.5	−1.39	1.92	1.27	−7.7	13.2
ARC-5,7-diOMe-DMPT	53.1	−1.60	1.66	0.90	−11.5	12.9
ARC-5,7-diOMe-6-Br-DMPT	53.2	−1.30	1.98	1.09	−6.5	14.8

^aDFT and TD-DFT calculations were conducted on chromophore–ammonium species without tetraphenyl borate at the M06–2X/6–31+g(d,p)/SMD-ethyl acetate level of theory. The ${\text{S}}_0{E}_{A/A^{•-}}$ of BPh₄ ranges from −0.78 to −0.98 V. Reduction potentials are reported referenced to SCE.