Mulliken electronegativities

Nevertheless, Murrell, Kettle, and Tedder conclude in their book on valence theory57 that there is no correlation between the electric dipole moment of a bond and the electronegativity difference. They have plotted the values of the electric dipole moments of eight bonds against the difference in the values of the Mulliken electronegativity (see Figure 1-2). (The bond moments for OH, NH, PH, NF, and PF are calculated from the... 

Table 1-1 gives the values of the Mulliken electronegativity, the results of dividing these values by 2.69, and the values from The Nature of the Chemical Bond. (The factor 2.69 is the ratio of the sum of the first-row values to the sum of the third-row values.) The second reason for the failure to obtain a correlation is neglect of some of the structural features. Let us consider the factor 2.69 now. 

A correlation of isomer shift, electronic configuration, and calculated -electron densities for a number of ruthenium complexes in analogy to the Walker-Wertheim-Jaccarino diagram for iron compounds has been reported by Clausen et al. [ 127]. Also useful is the correlation between isomer shift and electronegativity as communicated by Clausen et al. [128] for ruthenium trihalides where the isomer shift appears to increase with increasing Mulliken electronegativity. 

The coefficients x% and Jaa have a clear physical interpretation. x is the Mulliken electronegativity , namely one-half of the ionization energy and the electron affinity [128],... 

The ease with which a molecule forms an ion, either by accepting or donating one electron, is given by the Mulliken electronegativity coefficient %. Numerically, this is the average of its molecular electron affinity Ea and its ionization potential /p. 

This formula determines the sign of the dipole moment. According to the present assumptions, the sign of the adsorption dipole would be determined by the difference of the work function of the metal and the Mulliken electronegativity of the atom to be adsorbed. 

The Mulliken electronegativities have a good linear relationship with the Pauling values, and the former are usually adjusted for consistency... 

The superscript M stands for Mulliken. When the ionization energy and electron affinity are expressed in MJ/mol, the Mulliken electronegativities can be expressed on the Pauling scale using the following formula ... 

In 1951, Robert Thomas Sanderson (1912-1989) introduced the principle of electronegativity equalization that proposes, when two or more atoms combine, the atoms adjust to the same intermediate Mulliken electronegativity (Sanderson, 1951). Density functional theory tells us that the Mulliken electronegativity is the negative of the chemical potential (Parr et al., 1978). Sanderson s principle then becomes very appealing in that it can be considered analogous to a macroscopic thermodynamic phenomenon - the equalization of chemical potential. When atoms interact, the electronegativity, or chemical potential, must equalize. 

Mulliken electronegativity - quantum-chemical descriptors Mulliken population analysis charge descriptors (O atomic charge) multicriteria decision making - chemometrics multigraph -> graph... 

Mulliken, 1955a Mulliken, 1955b] - Mulliken electronegativity - ... 

The properties matrix P used to define TEM is an Ax3 matrix, where each ith row represents the vector (l p, g,), wherep,- and are the autoscaled Mulliken electronegativity and the autoscaled equilibrium charge (approximated by a quadratic function) of the tth atom, respectively ... 

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