Table 2 The WBIs values of the aromatic ring in three chlorophenols and their corresponding complexes with Heme (heme) before and after complexation.

From: Exploring the activation potential of heme for 2,4-dichlorophenol, 2,4,6-trichlorophenol, and pentachlorophenol

 

2,4-DCP

Heme-2,4-DCP

2,4,6-TCP

Heme-2,4,6-TCP

PCP

Heme-PCP

O-C1

1.0242

0.9894

1.0385

1.1400

1.0468

1.3057

C1-C2

1.3507

1.3620

1.3355

1.2939

1.325

1.2105

C2-C3

1.4008

1.4215

1.4048

1.4456

1.3633

1.4510

C3-C4

1.4065

1.4193

1.3988

1.4028

1.3534

1.3564

C4-C5

1.3952

1.4159

1.3909

1.4067

1.3409

1.3662

C5-C6

1.4485

1.4389

1.4175

1.4414

1.377

1.4380

C6-C1

1.3464

1.3735

1.3135

1.2970

1.3019

1.2209

Cl1-C2

1.0076

0.9068

1.013

0.8769

1.0294

0.8955

Cl2-C3

--

--

--

--

1.0566

0.9305

Cl2-C4

1.0165

0.8951

1.0228

0.8958

--

--

Cl3-C4

--

--

--

--

1.0509

0.9311

Cl3-C6

--

--

1.0391

0.9010

--

--

Cl4-C5

--

--

--

--

1.0586

0.9275

Cl5-C6

--

--

--

--

1.0558

0.9111