how to calculate electron affinity

Electron affinity Definition: The energy released when an electron is added to a gaseous atom which is in its ground state to form a gaseous negative ion is defined as the first electron affinity. One such property is known as electron affinity. Electron affinity, Electronegativity, Ionization energy 1. Electron gain enthalpy is defined as the amount of energy released when an electron is added to an isolated gaseous atom. It is the tendency to acquire an electron. Electron affinity is a measure of the energy released when an extra electron is added to an atom. Non-local density functional theory, as implemented in the code DMol, has been used to calculate the electron affinity of a set of 44 small atoms and molecules. During the addition of an electron, energy can either be released or absorbed. From the perspective of the atom, it acquires energy from the electron so that it can be absorbed into the atom, and thus, electron affinity is conventionally written to be positive.When the electron is more easily absorbed, the electron affinity is less positive. The symbol is EA, and the unit is kJ/mol. Both C2v and C2 geometries are considered. where EA ia the electron affinity and IP is the ionization potential, see, the figure. Electron affinity is known as an atom's love for electrons. Trends: As with ionization energy, there are two rules that govern the periodic trends of electron affinities: Electron affinity becomes less negative down a group. Using the thermochemical data and an estimated value of -2109.1 kJ/mol for the lattice energy for rubidium oxide, calculate the value for the second electron affinity of oxygen [O− + e- → O2−]. In general, electron affinities become more negative as we move from left to right on the periodic table. Inverse photoemission spectroscopy (IPES) is one of the frequently used techniques to determine directly the electron affinity in solids . If atoms of a material have a high electron affinity, then that material will have a relatively high love for electrons. The above expressions are explained in detailed in the the attached paper: Energy d In general, electron affinities become less negative from top to bottom of a group. (An unbound electron has an energy of zero.) A method to calculate these energy levels in organic solids will be useful in designing molecules for organic electronics before synthesis. Electron affinities are measured in the gaseous state. A more negative electron affinity corresponds to a greater attraction for an electron. Electron gain enthalpy is sometimes also referred to as Electron affinity although there is a minute difference between them. Because this value is negative (energy is released), we say that the electron affinity of fluorine is favorable. Electron affinity is the energy change that results from adding an electron to a gaseous atom. For example, when a fluorine atom in the gaseous state gains an electron to form F⁻(g), the associated energy change is -328 kJ/mol. Simply put, the property of electron affinity refers to the relative amount of love that a material has for electrons. The electron affinity, Eea, of an atom or molecule is the amount of energy required to detach an electron from a singly charged negative ion, i.e., the energy change for the process X- → X + e− An equivalent definition is the energy released (Einitial − Efinal) when an electron is attached to a neutral atom or molecule. DFT methods are used to calculate the ionization energy (IE) and electron affinity (EA) trends in a series of pincer ligated d8-Ir(tBu4PXCXP) complexes (1-X), where C is a 2,6-disubstituted phenyl ring with X = O, NH, CH2, BH, S, PH, SiH2, and GeH2. 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