Yonghe Zhang 張永和 @baijiabZ

事物存在於離子性動能與共價性環境的和諧。
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Thallium toxicity and ionocovalency

(2013-06-05 16:52:22) 下一個

Thallium toxicity and ionocovalency

Yonghe Zhang

American Huilin Institute

 

Thallium (Tl) is the p electron orbital element. Its chemical properties due to the lone pair electron effect ns2is similar to the s electron orbital elements (alkali metals) having  a strong ionic property of the unipositive valence cation.

According to the ionocovalent theory: everything exists in ionocovalent potential (IC), the harmony of the ionic energy I(Z*,Iz , n*) with the covalent environment C(rc-1, n*rc-1):

 

IC = I(Z*,Iz , n*) C(rc-1, n*rc-1)

 

       From  ionocovalent parameters (table below), we can see:

1)      Comparing to the potassium cations K+  and Na+,  the thallium cation Tlhas the higher ionic properties I (Z *, Iz, n *) and the small covalent radius rc, therefore, thallium cations  have higher ionocovalency IC: Tl+ (1.877) , Tl3+(3.307) i.e. the higher bond strength, charge density and polarizing power. Tl3+(3.307) has a strong ability to obtain electrons and is a strong oxidizing.

2)      Since the ionization energy generated Tl+ is particularly low (6.11) than the ionization energy generated Tl3+ (29.8), Tl forms a more stable ionic compounds of toxicity on the body life.

3)      Its high spatial covalency, n*rc-1 (2.815) enables a high affinity for sulfur ligands to attack sulfur-containing proteins

4As the atomic covalent radius of Tl+ (1.495) is almost identical with K+ (1.95) and  Na+(1.572), it can thus enter the body via potassium uptake pathways, causing life threatening  processes that transport potassium and sodium are disrupted.

                       Ionocovalent parameters

Cations

n*

Iz

Iav

rc-1

n*rc-1

Z*

rc

Xz

XIC

IC

Na+

2.89

5.14

5.14

0.636

1.838

1.777

1.572

0.948

0.853

1.13

K+

3.45

4.34

4.34

0.513

1.769

1.949

1.95

0.899

0.799

0.999

Tl+

4.36

6.11

6.11

0.646

2.815

2.922

1.549

1.069

1.164

1.887

Tl3+

4.36

29.8

18.11

0.646

2.815

5.122

1.549

1.423

1.749

3.307

 

       
         n* -  Effective principle quantum number       Iz -        Ultimate IP                Iav - Average IP

         Z* - Effective nuclear charge                         rc-1 -     σ -covalency            rc -  Covalent radiu          

         Xz - Zhang electronegativity 1982                 n*rc-1-  Spatial covalency              

         XIC -Zhang electronegativity 2010                 IC  -     Ionocovalency

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

           [2] Zhang, Y.  離子共價性 J. Am. huilin. Ins. 2011, 5 (B), 1-9

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