Ionization potential is usually also referred to as the first ionization potential, or the energy change (also called ionization energy) when a neutral atom or molecule in a gaseous state loses an electron and becomes a +1 valence ion, which is defined as:
IP = E(N-1)-E(N)
Where IP is the ionization potential, E(N-1) is the electron energy in the ground state of a +1 valence ion, E(N) is the electron energy in the ground state of a neutral atom or molecule, and N is the total number of electrons in the system. A positive ionization potential value indicates that the neutral molecule loses an electron and needs to absorb energy.
There are two types of ionization potential:
Vertical Ionization Potential (VIP)
Adiabatic Ionization Potential (AIP)
The vertical ionization potential means optimizing the molecular configuration of the N-electron system, and then using this configuration to calculate the energy of the N and N-1 electronic systems before subtracting the ionization potential. The adiabatic ionization potential is the optimization of the molecular configuration of the N and N-1 electronic systems and calculating the energy, and then subtracting the ionization potential.
ComputaBio provides you with ionization potential calculation services. The following are the steps to calculate vertical ionization potential and vertical affinity:
|Project name||Molecular Ionization Potential Calculation Service|
|Samples requirements||Our molecular ionization potential calculation service requires you to provide specific requirements.|
|Cycle||Decide according to your needs.|
|Service including||We provide you with raw data and analysis service.|
ComputaBio' molecular ionization potential calculation service reduces the cost of later experiment. Molecular ionization potential calculation service is a personalized and customized innovative scientific research service. Before determining the corresponding analysis plan and price, each project needs to be evaluated. If you want to know more about service prices or technical details, please feel free to contact us.