Zhang Effective Principal Quantum Number n*

Yonghe Zhang ionocovalent theory applications (4) 

Zhang Effective Principal Quantum Number n* 

Yonghe Zhang

American Huilin Institute   http://www.amhuilin.com/

 

The Effective principal quantum number n is a term for describing the electron wavefunction. It determines the size and (in hydrogen atom) the energy of an orbital. The n is used to label electron shells and may take on integer values from 1 to infinity. Large n means a large valence shell. Based on the consideration of the spatial screening of the electron orbitals and the Zheng’s ionization energies [1], we have correlated a relationship with the effective principal quantum number n* by observation-feedback calculation [2,3]:  

n

1

2

3

4

5

6

7

n*

1(0.85)

1.99

2.89

3.45

3.85

4.36

4.36(4.99)

   

And the n* has been widely adopted for derivation and calculation of new atomic and molecular parameters such as effective nuclear charges [4, 5] topological index, bond energy, lattice energy, molecular connectivity index [6-8] and topological index mG [9].

 

[1] N.-W. Zheng, K’o Hsueh T’ung Pao, 1977, 22 (12), 531

[2] Y. Zhang, J. Molecular Science, (Chinese) 1981, 1, 125.

[3] Y. Zhang,, Inorg Chem., 1982, 21, 3886;

[4] K. Li, and D. Xue, Phys. Stat. Sol. (b), 2007, 244, 6, 1982.

[5] D. Yu, J. Chongqing Normal University (Natural Science Ed.), 2006, 23, 3, 1-4.

[6] C.-J. Feng, Chemical Researches., 1999, 10, 2, 57-63.

[7] C.-J. Feng, Chinese Journal of Inorg, Chem., 1999, 15, 3, 1-9.

[8] C.-J. Feng, Chinese Journal of Inorg, Chem., 2000, 16, 5, 715-720

[9] S.-Y. Xu, Z.-P. Zhang, M.-Y. Song, J.-Y. Xue, Journal of University of Science   and Technology of China, 2006, 36, 9, 1015-1020

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