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Problems in Structural Inorganic Chemistry$

Wai-Kee Li, Yu-San Cheung, Kendrew Kin Wah Mak, and Thomas Chung Wai Mak

Print publication date: 2012

Print ISBN-13: 9780199658497

Published to Oxford Scholarship Online: December 2013

DOI: 10.1093/acprof:oso/9780199658497.001.0001

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(p.277) Appendix 2 Energy Conversion Factors, Physical Constants, and Atomic Units

(p.277) Appendix 2 Energy Conversion Factors, Physical Constants, and Atomic Units

Source:
Problems in Structural Inorganic Chemistry
Publisher:
Oxford University Press

cm−1

kJ mol−1

eV

Hartree

cm−1

1

1.19627 × 10−2

1.23985 × 10−4

4.55635 × 10−6

kJ mol−1

83.5934

1

1.03643 × 10−2

3.80880 × 10−4

eV

8065.51

96.4851

1

3.67493 × 10−2

Hartree

219474

2625.50

27.2114

1

Constant

Symbol

SI Value

Speed of light

c

2.99792458 × 108 ms−1

Electron charge

e

1.602177 × 10−19 C

Permittivity of vacuum

ε 0

8.8541878 × 10−12 J−1 C2 m−1

Avogadro’s number

N 0

6.02214 × 1023 mol−1

Electron mass

m e

9.10939 × 10−31 kg

Planck constant

h

6.62608 × 10−34 Js

Bohr radius

a 0

5.291772 × 10−11 m

( ) In some problems in this book, electron mass is denoted as m.

Length

1 a.u. = a 0 = 5.29177 × 10−11 m (Bohr radius)

Mass

1 a.u. = m e = 9.109382 × 10−31 kg (rest mass of electron)

Charge

1 a.u. = |e| = 1.6021764 × 10−19 C (charge of electron)

Energy

1 a.u. = e 2 4 π ε 0 a 0 = 27.2114 eV (potential energy between two electrons when they are 1a 0 apart)≡ 1 hartree

Angular momentum

1 a.u. = h 2 π = 1.05457 × 10−34 J s

Scale factor

4πε 0 = 1

REFERENCE: B. K. Teo and W.-K. Li, The scales of time, length, mass, energy, and other fundamental physical quantities in the atomic world and the use of atomic units in quantum mechanical calculations. J. Chem. Educ. 88, 921–8 (2011).