A Relation between Bond Force Constants, Bond Orders, Bond Lengths, and the Electronegativities of the Bonded Atoms

Gordy, Walter

doi:10.1063/1.1724138

Cited by 460 publications

(82 citation statements)

References 32 publications

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“…For example the work of Kavanau [35] suggested that the internuclear distance could be written as a function of principal quantum numbers raised to the power of the bond order. Gordy [36] suggested instead that the force constant was linearly proportional to the bond order, and inversely related to the internuclear distance to the power 3/2. In each case, the value of the bond order was assumed to be known (and chosen as an integer).…”

Section: Experimental Bond Ordersmentioning

confidence: 99%

Toward an experimental bond order

Jules

Lombardi

2003

Journal of Molecular Structure: THEOCHEM

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By inverting the Guggenheimer formula relating force constant to internuclear distance we derive an experimental expression for bond order, which can be applied throughout the periodic table to diatomic molecules as well as polyatomic molecules. Only two adjustable parameters are required except they must be modified somewhat for polar molecules, most hydrides, and certain triplet ground state molecules. An alternative, suggested by Bader, depends only on the electron density at the bond critical point. It is modified to make it more generally applicable and compatible with experimental results and we compare the two approaches. q

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Section: Experimental Bond Ordersmentioning

confidence: 99%

Toward an experimental bond order

Jules

Lombardi

2003

Journal of Molecular Structure: THEOCHEM

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“…Trends along rows and columns in the periodic table of elements assist in selecting the more probable molecular parameters and geometry. Simple rules [246][247][248] help in estimating interatomic distances and vibrational frequencies for which approximate values can also be calculated with the central force or the valence force [237] approximations. Detailed models have been developed for large molecules [249] to obtain complete sets of vibrational High-temperature mass spectrometry 725…”

Section: Thermodynamic Functions {C P S (T) [H (T) -H (θ)] and [G mentioning

confidence: 99%

High-temperature mass spectrometry: Instrumental techniques, ionization cross-sections, pressure measurements, and thermodynamic data (IUPAC Technical Report)

Drowart

Chatillon

Hastie

et al. 2005

Pure and Applied Chemistry

223

184

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An assessment of high-temperature mass spectrometry and of sources of inaccuracy is made. Experimental, calculated, and estimated cross-sections for ionization of atoms and inorganic molecules typically present in high-temperature vapors are summarized. Experimental cross-sections determined for some 56 atoms are generally close to theoretically calculated values, especially when excitation–autoionization is taken into account. Absolute or relative cross-sections for formation of parent ions were measured for ca. 100 molecules. These include homonuclear diatomic and polyatomic molecules, oxides, chalcogenides, halides, and hydroxides. Additivity of atomic cross-sections supplemented by empirical corrections provides fair estimates of molecular cross-sections. Causes of uncertainty are differences in interatomic distances and in shapes of potential energy curves (surfaces) of neutral molecules and of molecular ions and tendency toward dissociative ionization in certain types of molecules. Various mass spectrometric procedures are described that render the accuracy of measured thermodynamic properties of materials largely independent of ionization cross-sections. This accuracy is comparable with that of other techniques applicable under the conditions of interest, but often only the mass spectrometric procedure is appropriate at high temperatures.

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“…The electronegativity definition was subsequently modified and enriched toward a gradual appreciation of the various complexities involved in the concept [4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21].…”

Section: Introductionmentioning

confidence: 99%