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

1946 ◽  
Vol 14 (5) ◽  
pp. 305-320 ◽  
Author(s):  
Walter Gordy
Keyword(s):  
Force Constants ◽  
Bond Orders ◽  
Bond Lengths ◽  
Bond Force

CHARACTERISTIC VIBRATIONAL FREQUENCIES OF OXYGEN COMPOUNDS OF SILICON, PHOSPHORUS, AND CHLORINE: CORRELATION OF STRETCHING FREQUENCIES AND FORCE CONSTANTS WITH BOND LENGTHS AND BOND ORDERS

1963 ◽  
Vol 41 (12) ◽  
pp. 3021-3033 ◽  
Author(s):  
E. A. Robinson
Keyword(s):  
Bond Length ◽  
Force Constant ◽  
Chlorine Atom ◽  
Silicon Atom ◽  
Vibrational Frequencies ◽  
Force Constants ◽  
Bond Orders ◽  
Present Treatment ◽  
Bond Lengths ◽  
Linear Correlations

For oxygen compounds of chlorine, phosphorus, and silicon, respectively, correlations are established between stretching frequencies and force constants of Cl—O, P—O, and Si—O bonds, and their bond lengths.By deducing bond orders on the assumption that only [Formula: see text]and [Formula: see text] orbitals on the central chlorine, phosphorus, or silicon atom are utilized in the formation of double bonds with lone pairs of electrons on oxygen, linear correlations between bond orders and force constants are established.The present treatment leads to the conclusion that the presence of a maximum of 12 electrons in the valency shells of chlorine, phosphorus, and silicon is required to best explain the bond length and force constant data, when highly electronegative ligands such as oxygen or fluorine are attached to the central silicon, phosphorus, or chlorine atom.

U–O bond lengths and force constants in some uranyl minerals

1971 ◽  
Vol 134 (3-4) ◽  
Author(s):  
Ronald W. T. Wilkins
Keyword(s):  
Infrared Spectroscopy ◽  
Force Constants ◽  
Uranyl Compounds ◽  
Bond Lengths ◽  
Bond Force ◽  
Raman And Infrared Spectroscopy ◽  
Stretching Vibrations

AbstractForce constants for U–O bonds in uranyl compounds are readily calculated from the frequencies of the symmetric and asymmetric stretching vibrations determined from Raman and infrared spectroscopy. U–O bond lengths have been calculated from bond force constants using B

CHARACTERISTIC VIBRATIONAL FREQUENCIES OF COMPOUNDS CONTAINING Si—O—Si, P—O—P, S—O—S, AND Cl—O—Cl BRIDGING GROUPS FORCE CONSTANTS AND BOND ORDERS FOR THE BRIDGE BONDS

1964 ◽  
Vol 42 (11) ◽  
pp. 2496-2503 ◽  
Author(s):  
R. J. Gillespie ◽  
E. A. Robinson
Keyword(s):  
Vibrational Spectra ◽  
Electron Pair ◽  
Vibrational Frequencies ◽  
Force Constants ◽  
Bond Orders ◽  
Characteristic Frequencies ◽  
Bond Lengths ◽  
Isoelectronic Series ◽  
Empirical Rule ◽  
Bridging Groups

The assignment of characteristic frequencies for the X—O—X group in compounds containing Si—O—Si, P—O—P, S—O—S, and Cl—O—Cl bonds is discussed with reference to the vibrational spectra of disiloxanes, diphosphoryl, and disulphuryl compounds and dichlorine heptoxide. The stretching force constants of the X—O—X bridging bonds have been obtained by treating the molecules as simple triatomic species X2O• X—O bond orders and bond lengths have been calculated from the stretching force constants and the calculated and observed bond lengths are compared. The variation in the observed X—O—X angles is related to the bond orders and is discussed in terms of the electron-pair repulsion theory. It is shown that bond orders in the isoelectronic series Si2O76−, P2O74−, S2O72−, and Cl2O7 may be simply deduced from the empirical rule that the valency shell of a second-row element tends to be occupied by twelve electrons (the duodecet rule).

Vibrational spectra of aquadioxotetra; peroxodivanadates(V) M2[V2O2(O2)4(H2O)]·xH2O (M = N(CH3)4, Cs)

1990 ◽  
Vol 55 (6) ◽  
pp. 1485-1490 ◽  
Author(s):  
Peter Schwendt ◽  
Milan Sýkora
Keyword(s):  
Raman Spectra ◽  
Vibrational Spectra ◽  
Normal Coordinate Analysis ◽  
Force Constants ◽  
Infrared And Raman Spectra ◽  
Empirical Correlations ◽  
Normal Coordinate ◽  
Bond Lengths ◽  
Stretching Vibrations

The infrared and Raman spectra of M2[V2O2(O2)4(H2O)]·xH2O and M2[V2O2(O2)4(D2O)]·xD2O (M = N(CH3)4, Cs) were measured. In the region of the vanadium-oxygen stretching vibrations, the spectra were interpreted based on normal coordinate analysis, employing empirical correlations between the bond lengths and force constants.

The effect of ionic lattices on the electronic structures of polyatomic ions. I. The triiodide ion

1966 ◽  
Vol 19 (9) ◽  
pp. 1567 ◽  
Author(s):  
RD Brown ◽  
EK Nunn
Keyword(s):  
Electronic Structure ◽  
Molecular Orbital ◽  
Electron Energy ◽  
Electronic Structures ◽  
Valence Electron ◽  
Bond Orders ◽  
Bond Lengths ◽  
Molecular Orbital Study ◽  
Crystalline Environment ◽  
Asymmetric Stretch

A VESCF molecular-orbital study of the electronic structure of the triiodide anion in its crystalline environment in caesium triiodide and in tetraphenylarsonium triiodide reveals the effect of the lattices upon the electronic structures. The calculated total valence-electron energy as a function of the position of the central iodine nucleus provides an understanding of the observed geometries of the anion in the two crystals. The energy plot also implies that the asymmetric stretch of the triiodide is strongly anharmonic in the crystal. A satisfactory correlation exists between observed iodine : iodine bond lengths and computed bond orders.

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