Chemoinformatica: Electronegativities from Pauling to Zhang

Molecular Descriptors for Chemoinformatica:

Volume I: Alphabetical Listing

by Roberto Todeschini, Viviana Consonni, Raimund Mannhold (Series Editor), Hugo Kubinyi (Series Editor), Gerd Folkers (Series E) Page260, September 2009, References, 2nd, Revised and Enlarged Edition, Wiley-VCH Verlag GmbH & Co. KGaA

 

Electronegativities from Pauling to Zhang

 

 

H

B

C

N

O

F

Si

P

S

Cl

Br

I

Pauling 1

 

2.1

2.0

2.5

3.0

3.5

4.0

1.8

2.1

2.5

3.0

2.8

2.5

Pauling 2

 

2.20

2.04

2.55

3.04

3.44

3.98

1.90

2.19

2.58

3.16

2.76

2.66

Milliken

 

2.28

2.01

2.63

2.33

3.17

3.91

2.44

1.81

2.41

3.00

2.76

2.56

Allred-Rochow

2.20

2.01

2.50

3.07

3.50

4.10

1.74

2.06

2.44

2.83

2.74

2.21

Sanderson 1

2.31

1.88

2.47

2.93

3.46

3.92

1.74

2.16

2.66

3.28

2.96

2.50

Sanderson 2

2.592

2.275

2.746

2.194

3.654

4.000

2.138

2.515

2.957

3.475

3.219

2.778

Mullay

 

2.08

1.85

2.47

3.41

3.15

4.00

1.91

1.99

2.49

3.07

2.81

2.47

Gordy

 

2.17

 

2.52

2.98

3.45

3.95

 

 

2.58

3.50

2.75

2.50

Wells

 

2.28

 

2.30

2.35

2.70

3.95

 

 

2.80

3.03

2.80

2.47

Boyd-Markus

1.94

1.95

2.53

2.32

2.53

4.00

1.81

2.34

2.65

3.14

2.78

2.48

Inamoto-Masuda

2.00

 

2.21

2.71

3.02

3.05

1.72

1.93

2.15

2.37

2.32

2.15

Diudea

 

1.680

1.501

1.831

2.240

2.680

3.024

1.424

1.646

2.026

2.512

2.279

1.879

Zhang

 

2.271

1.966

2.536

3.062

3.642

4.188

1.769

2.131

2.479

2.835

2.529

2.142

(1) Pauling 1 [Pauling, 1939].              

(2) Pauling 2 [Allred and Rochow,1961].     

(3) Milliken [Milliken,1934,1935a].              

(4) Allred-Rochow [Allred and Rochow, 1958] 

(5) Sanderson 1 [Sanderson, 1952,1955].     

(6) Sanderson 2 [Sanderson, 1988].          

(7) Mullay [Mullay, 1984].                  

(8) Gordy [Gordy, 1946].               

(9) Wells [Wells, 1968a].                   

(10) Boyd-Markus [Boyd and Markus, 1981].        

(11) Inamoto-Masuda [Inamoto and Masuda, 1982].  

(12) Diudea [Diudea, Kacso et al., 1996].        

(13) Zhang [Zhang,1982a].

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