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Bond order and bond energies

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Abstract

This work describes the concept of bond order. It shows that covalent bond energy is correlated to bond order. Simple expressions which included bond order are introduced to calculate bond energies of homo-nuclear and hetero-nuclear bonds. Calculated values of bond energies are compared with literature values and show there is very good agreement between and calculated and experimental values in the vast majority of cases. Bond order reveals the strength of a bond and shows the number of bonds in both homo-nuclear and hetero-nuclear covalent bonds.

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  1. Birkbeck College, University of London, Malet Street, London, WC1E 7HX, UK

    Peter F. Lang

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  1. Peter F. Lang
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Correspondence to Peter F. Lang.

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Appendices

Appendix 1

  1. 7.

    1. Li2 : (σ1s)2 (σ*1s)2 (σ2s)2.

  2. 8.

    2. C2 : (σ1s)2 (σ*1s)2 (σ2s)2 (σ*2s)2 (π2p)4.

  3. 9.

    3. N2 : (σ1s)2 (σ*1s)2 (σ2s)2 (σ*2s)2 (π2p)4 (σ2p)2.

  4. 10.

    4. F2 : (σ1s)2 (σ*1s)2 (σ2s)2 (σ*2s)2 (σ2p)2 (π2p)4 (π*2p)4.

  5. 11.

    5. Na2 : (σ1s)2 (σ*1s)2 (σ2s)2 (σ*2s)2 (σ2p)2 (π2p)4 (π*2p)4 (σ*2p)2 (σ3s)2.

  6. 12.

    6. Si2 : (σ1s)2 (σ*1s)2 (σ2s)2 (σ*2s)2 (σ2p)2 (π2p)4 (π*2p)4 (σ*2p)2 (σ3s)2 (σ*3s)2 (σ3p)2 (π3p)2.

Appendix 2

Electronegativities and single bond covalent radii.

Atom

Elecronegativity

Covalent radius (Å)

H

2.00

0.371

He

N/A

N/A

Li

1.24

1.292

Be

2.14

0.930

B

1.81

0.848

C

2.30

0.795

N

2.82

0.759

O

3.39

0.732

F

4.00

0.706

Ne

N/A

N/A

Na

1.18

1.613

Mg

1.76

1.450

Al

1.31

1.200

Si

1.66

1.124

P

2.05

1.080

S

2.49

1072

Cl

2.95

0.994

Ar

N/A

N/A

K

1.00

1.952

Ca

1.40

1.723

Sc

1.51

1.395

Ti

1.57

1.294

V

1.62

1.260

Cr

1.65

1.250

Mn

1.71

1.310

Fe

1.77

1.235

Co

1.84

1.225

Ni

1.92

1.187

Cu

2.02

1.140

Zn

2.16

1.199

Ga

1.31

1.233

Ge

1.62

1.234

As

1.95

1.230

Se

2.30

1.170

Br

2.67

1.141

Kr

N/A

N/A

Rb

0.96

3.077

Sr

1.31

1.880

Y

1.54

1.520

Zr

1.57

1.430

Nb

1.61

1.490

Mo

1.66

1.380

Tc

1.71

1.310

Ru

1.76

1.300

Rh

1.84

1.260

Pd

1.91

1.200

Ag

1.92

1.350

Cd

2.06

1.340

In

1.26

1.450

Sn

1.49

1.432

Sb

1.73

1.425

Te

2.01

1.340

I

2.32

1.333

Xe

N/A

N/A

Cs

0.89

3.200

Ba

1.20

2.000

La

1.28

1.720

Ce

1.27

1.640

Pr

1.25

1.640

Nd

1.27

1.630

Pm

1.28

1.620

Sm

1.30

1.620

Eu

1.30

1.610

Gd

1.41

1.600

Tb

1.35

1.600

Dy

1.36

1.590

Ho

1.38

1.580

Er

1.40

1.570

Tm

1.42

1.570

Yb

1.44

1.560

Lu

1.25

1.550

Hf

1.57

1.428

Ta

1.73

1.370

W

1.81

1.355

Re

1.80

1.345

Os

1.94

1.350

Ir

2.06

1.300

Pt

2.06

1.220

Au

2.12

1.200

Hg

2.40

1.316

Tl

1.34

1.580

Pb

1.51

1.565

Bi

1.68

1.535

Po

1.90

1.450

At

2.12

1.440

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Lang, P.F. Bond order and bond energies. Found Chem (2023). https://doi.org/10.1007/s10698-023-09486-7

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