Vibrational Quantities - constants

Back to Vibrational Relationships - Derivation

The following quantities should be regarded as definitions.

Fundamental Constants

Quantity

Symbol(s)

Value

 

Units

 

Avogadro constant

N, NA, L

6.022 140 857 x 1023

1

mol-1

Boltzmann constant

k

1.380 648 52 x 10-23

1

J K-1

Dyne dyn 1 x 105 1,2 J m-1  

Electron volt

 eV

1.602 176 6208 x 10-19 1 J

Kilocalorie kcal 4184 1,2,4 J  
Erg erg 1 x 10-7 2 J  
Plank's constant h 6.626 0755 x 10-27 1 erg s

Speed of light

c, c0 299 792 458 1,2,3 m s-1

 

mol: chemical mole
J: Joule = 107 erg
K: Kelvin degree
m: meter
s: second (of time)

 

 

 

1: Abstracted from the NIST on-line CODATA Internationally recommended 2014 values of the Fundamental Physical Constants.
2: This quantity is exact, therefore no decimal point.
3: The meter is defined in terms of the speed of light.
4: The thermochemical kilocalorie is defined in terms of the Joule.

The following terms are used in the derivation of vibrational quantities.  These terms are calculated using information in the Fundamental Constants table (above).

Secondary Constants

Quantity

Symbol(s)

 

Value

Units

 
Mole mol N 6.0221 x 1023 # atoms in 12 g of carbon-12  
Kilocalorie per mole kcal mol-1 kcal x N-1 1.0 kcal mol-1  
Millidynes per Ångstrom (mdynes A-1) F, Force J x m-2 100 10-3 dyn Å-1  

Electron volt (in cm-1)

 eV

eV x h-1 x c-1 8065.8 cm-1

Electron volt (in kcal mol-1)

 eV

eV x N x kcal-1 23.060 kcal mol-1  

Reciprocal centimeters (in kcal mol-1)

cm-1 N x h x c x kcal-1 2.8591 x 10-3 kcal mol-1  

 

 

 

 

 

 

 

 

 

Other Relationships

Quantity

Is the same as

 
Dynes per centimeter 10-5 mdynes A-1  
Newton 1 J m-1
Newton per meter 1 J x m-2