IC-Lewis Acid Strengths*

Yonghe Zhang
American Huilin Institute

 

2. Methods

 

In the present work, we have used new values for both the ionic and covalent functions, I(Z*rk-2) and C(Xic) respectively. We used Z* as the effective nuclear charge [1] instead of the core charge Z in the previously work and the Xic, as the electronegativity which we proposed recently [3], instead of the Xzin the previously work. The same linear relationship but more ideal results are obtained by plotting Z*/rk2 against Xic:

 

Z*/rk2 – 7.7Xic + 8.0 =0

 

And we defined the the ionocovalent function Lic as the ionocovalent (IC-) Lewis acid strengths:

 

Lic = Z*/rk2 – 7.7Xic + 8.0

 

The results are shown in the Table 1.

 https://www.box.com/s/vrruj8q3dih4bbbkpdmr

 

Table 1. IC Lewis Acid Strengths

Cations

IC

Xza

Lic

Hard ness[4]

α/β

[5]

Y

[6]

σA

[7]

Sa

[8]

ICP

[10]

CN-(L2) log β

CN-(L4) log β

SCN-(L2) log β

Cl-(L1)

log β

Br-(L1)

log β

Au3+

3.965

2.021

-2.154

 

 

3.95

 

 

0.00

 

56(0)

42(v)

 

 

Pt4+ 

4.518

2.248

-1.612

S

 

 

 

0.67

0.39

 

 

 

 

 

Au+

2.689

1.495

-1.595

S

 

5.95

 

 

 

38.3 (0)

 

25(v)

 

 

Te4+

3.675

1.901

-1.287

S

 

 

 

0.98

 

 

 

 

 

 

Hg+ 

2.653

1.480

-1.236

S

 

 

 

 

0.35

 

 

 

 

 

Pt2+ 

3.405

1.790

-0.810

S

 

4.82

 

 

 

 

 

 

 

 

Pd2+

3.042

1.640

-0.743

S

 

4.27

 

0.46

0.43

 

42.2(0)

 

 

 

Hg2+

3.118

1.672

-0.557

S

187.0

4.25

4.60

 

0.60

34.7(0)

41.5(0.1)

16.1(1)

6.74(0.5)

9.05(0.5)

Tl+3

3.307

1.749

0.205

S

 

3.23

4.30

0.49

0.64

 

35(v)

 

6.25(0)

8.30(0.4)

Cu+

2.343

1.352

0.295

S

28.4

3.45

 

0.45

0.30

24.0(0)

30.3(0)

11.0(5)

 

 

Tl+

1.887

1.164

0.334

S

 

3.78

 

0.14

0.23

 

 

 

 

 

Ag+

2.147

1.271

0.384

S

16.5

3.99

4.20

 

0.19

21.1(2)

20.7(0.2)

8.2(2.2)

3.4((v)

4.15(0.1)

Rh3+

3.638

1.886

0.479

B

 

 

 

0.50

 

 

 

 

 

 

Sn2+

2.472

1.405

0.503

B

 

3.17

 

0.45

 

 

 

 

 

 

Pb2+

2.574

1.447

0.515

B

16.1

3.58

4.10

0.29

 

 

10.3(1.0)

1.4(2.0)

1.6(0)

1.56(1)

Cd2+

2.658

1.482

0.579

S

12.5

3.04

3.50

 

0.57

10.6(3)

18.9(3.0)

1.88(2)

1.42(0)

1.56(0.7)

Cr2+

2.723

1.509

0.598

 

 

 

 

 

 

 

 

 

 

 

Cu2+

3.155

1.687

0.622

B

9.7

2.89

3.10

0.39

0.41

 

 

2.5(0.5)

0.98(0.7)

0.55(2.0)

Sb3+

3.036

1.638

0.674

B

 

 

 

0.62

 

 

 

 

 

 

Zn2+

2.772

1.529

0.697

B

5.4

2.34

3.10

 

0.72

 

16.72(0)

1.32(2)

0.72(v)

0.6(4.5)

Ta5+

4.393

2.197

0.781

 

 

 

 

0.82

 

 

 

 

 

 

Bi+3

3.162

1.690

0.792

B

 

 

 

0.48

 

 

 

 

 

 

Ni2+

3.029

1.635

0.798

B

 

2.82

2.00

0.40

0.53

 

 

1.6(1.5)

 

 

W6+

5.178

2.520

0.877

 

 

 

 

1.07

 

 

 

 

 

 

Th4+

2.798

1.540

1.056

H

 

 

 

 

 

 

 

 

0.23

 

La3+

2.185

1.287

1.064

H

 

 

0.50

0.35

0.70

 

 

 

 

 

Y3+

2.332

1.348

1.107

H

 

 

0.60

0.43

 

 

 

 

 

 

Nb5+

4.043

2.053

1.112

 

 

 

 

0.82

 

 

 

 

 

 

Co2+

2.874

1.571

1.199

 

 

 

 

 

 

 

 

1.01(L1)

 

 

Zr4+

3.155

1.687

1.214

H

 

 

 

0.60

1.82

 

 

 

 

 

Cr3+

3.395

1.786

1.230

 

 

2.70

 

0.50

 

 

 

 

 

 

Mn2+

2.719

1.507

1.235

H

 

 

 

 

 

 

 

1.23(L1,0)

 

Ba2+

1.646

1.065

1.267

 

4.4

2.62

0.50

0.20

 

 

 

 

 

 

Re5+

4.881

2.398

1.569

 

 

 

 

0.83

 

 

 

 

 

 

Ga3+

3.281

1.739

1.683

H

5.0

 

 

0.65

0.89

 

 

 

0.59(0.7)

Sc3+

2.494

1.414

1.691

H

 

 

 

0.49

0.92

 

 

 

 

 

Sr2+

1.576

1.036

1.751

H

13.0

2.08

0.60

0.23

0.70

 

 

 

 

 

Ru5+

4.791

2.361

1.784

 

 

 

 

0.83

 

 

 

 

 

 

Fe2+

2.786

1.535

1.952

 

 

 

 

 

 

 

 

1.0(v)

0.36(2)

0.21(1)

V4+

3.772

1.941

1.960

 

 

 

 

0.71

 

 

 

 

 

 

Ca2+

1.617

1.053

2.050

H

3.5

1.62

0.90

0.27

0.79

 

 

 

 

 

Sn4+

3.601

1.871

2.093

H

 

 

 

0.68

 

 

 

 

 

 

Cr4+

4.058

2.059

2.136

 

 

2.70

 

 

 

 

 

 

 

 

As3+

3.364

1.773

2.200

H

 

 

 

0.98

 

 

 

 

 

 

Ti4+

3.374

1.777

2.365

H

 

 

 

0.67

0.92

 

 

 

 

 

Mg2+

1.933

1.184

2.452

H

5.8

0.87

1.40

0.33

0.97

 

 

 

 

 

Fe3+

3.431

1.801

2.531

H

 

 

 

0.53

 

 

 

 

 

 

Pb4+

3.780

1.944

2.584

 

 

 

 

0.70

 

 

 

 

 

 

In3+

2.923

1.591

2.585

H

6.9

2.24

 

0.50

0.74

 

 

 

 

 

K+

0.999

0.799

2.693

H

 

0.92

 

0.11

0.51

 

 

 

 

 

V5+

4.359

2.183

2.730

 

 

 

 

1.08

 

 

 

 

 

 

Na+

1.130

0.853

2.755

H

 

0.93

0.93

0.15

0.70

 

 

 

 

 

Re7+

5.874

2.807

3.109

 

 

 

 

1.51

 

 

 

 

 

 

Te6+

4.641

2.299

3.273

H

 

 

 

1.00

 

 

 

 

 

 

Ge4+

3.895

1.992

3.275

 

 

 

 

0.89

 

 

 

 

 

 

Li+

1.023

0.808

3.322

H

 

0.36

 

0.19

0.94

 

 

 

 

 

Al3+

2.730

1.512

3.610

H

0.6

0.70

 

0.57

1.00

 

 

 

 

 

Be2+

2.252

1.315

3.627

H

 

 

 

0.50

1.90

 

 

 

 

 

Se4+

4.090

2.072

3.728

 

 

 

 

1.20

 

 

 

 

 

 

As5+

4.502

2.242

5.870

 

 

 

 

1.13

 

 

 

 

 

 

I5+

3.817

1.960

6.157

H

 

 

 

1.30

 

 

 

 

 

 

Cr6+

5.287

2.565

6.667

H

 

 

 

1.50

 

 

 

 

 

 

H+

2.703

1.501

7.557

H

0.0

 

2.28

 

0.67

9(L1,0.1)

 

 

 

 

Se6+

5.209

2.533

7.929

 

 

 

 

1.50

 

 

 

 

 

 

Si4+

3.371

1.776

7.967

H

 

 

 

1.00

1.21

 

 

 

 

 

P5+

4.355

2.181

8.437

 

 

 

 

1.25

 

 

 

 

 

 

B3+

3.291

1.743

10.241

 

 

 

 

0.87

 

 

 

 

 

 

I7+

5.339

2.587

13.437

H

 

 

 

1.20

 

 

 

 

 

 

S6+

5.165

2.515

17.406

 

 

 

 

1.50

 

 

 

 

 

 

C4+

4.320

2.167

27.794

 

 

 

 

1.35

 

 

 

 

 

 

N5+

5.329

2.583

42.209

 

 

 

 

1.67

 

 

 

 

 

 

Cl7+

6.048

2.879

67.969

H

 

 

 

1.75

 

 

 

 

 

 

 

 

[*] Zhang, Y.Ionocovalency and Applications. 2. IC-Lewis acid strengthsJ. Am. huilin. Ins. 2011, 11, 1-10

[*] Zhang, Y. Ionocovalency, J. Am. huilin. Ins. 2011, 5, 1-11  

[*] Zhang, Y. Ionocovalency and Applications 1. Ionocovalency Model and Orbital Hybrid Scales. Int. J. Mol. Sci. 2010, 11, 4381-4406 

 

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