. Author manuscript; available in PMC: 2010 Jun 25.

Published in final edited form as: J Phys Chem A. 2009 Jun 25;113(25):7054–7063. doi: 10.1021/jp810119k

Table 2.

Electronic Transition Energies and Strengths of Some Real Diphosphenes.^a

Compound^b	τ₁, τ₂	UV-Vis Absorption			Ref.
					Ref.
		π-π*	n₊π*	intensity ratio
Tbt-P=P-Tbt	52.8,	405 (13000)	530 (2000)	0.15	78
Tbt-P=P-Tbt	60.0	405 (13000)	530 (2000)	0.15	78
Dmop-P=P-Dmop^c	61.3,	346 (5620)	477 (1320)	0.23	79, 80
Dmop-P=P-Dmop^c	58.6	347 (5500)	478 (1260)	0.23	79, 80
Mes-P=P-Mes	61.5	340 (7690)	460 (1360)	0.18	1
Dmp-P=P-Dmp	81.2,	372 (6190)	456 (365)	0.059	25
Dmp-P=P-Dmp	13.0	372 (6190)	456 (365)	0.059	25
Bbt-P=P-Bbt	86.2,	428 (12000)	532 (1000)	0.083	78
Bbt-P=P-Bbt	28.4	428 (12000)	532 (1000)	0.083	78
Dcp-P=P-Dcp	88.7	352 (8551)	448 (626)	0.073	81
Btfmp-P=P-Btfmp	91.8	277 (11640)	394 (197)	0.017	⁸², 83

τ₁ and τ₂ phenyl torsion angles defined in Figure 1, in degrees; λ in nanometers;ε in M⁻¹ cm⁻¹.

Tbt = 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl; Dmop = 2,6-di-tert-butyl-4- methoxyphenyl; Mes* = 2,4,6-tri-tert-butylphenyl; Bbt = 2,6-bis[bis(trimethylsilyl)- methyl]-4-[tris(trimethylsilyl)methyl]phenyl; Dcp = 2,6-(2,6-Cl₂C₆H₃)C₆H₃; Btfmp = 2,6- bis(trifluoromethyl)phenyl.

CH₂Cl₂ (upper), hexane (lower).