The International System

Article on the SI for the encyclopedia.

Unity as a unit

The arguments for regarding the number 1 as a unit of the SI are reviewed. Examples of dimensionless quantities are presented, and problems associated with representing the values of dimensionless quantities of very small magnitude are discussed. The logarithmic ratio units bel, decibel and neper are discussed.

Dimensions of logarithmic quantities

Comment on the article by Philip Molyneux on "The Dimensions of Logarithmic Quantities" [J. Chem. Educ. 1991, 68, 467-4691].

The choice of names and symbols for quantities in chemistry

The importance of maintaining a clear distinction between the names and symbols for quantities and the names and symbols for units.

Preparation and properties of gallaborane, GaBH6: structure of the gaseous molecule H2Ga(μ-H)2BH2 as determined by vibrational, electron diffraction, and ab initio studies, and structure of the crystalline solid at 110 K as determined by x-ray diffraction``

Gallaborane (GaBH6, 1), synthesized by the metathesis of LiBH4 with [H2GaCl]n at ca. 250 K, has been characterized by chemical analysis and by its IR and 1H and 11B NMR spectra. The IR spectrum of the vapor at low pressure implies the presence of only one species, viz. H2Ga(μ-H)2BH2, with a diborane-like structure conforming to C2v symmetry. The structure of this molecule has been determined by gas-phase electron diffraction (GED) measurements afforced by the results of ab initio molecular orbital calculations. Hence the principal distances (rα in Å) and angles ( α in deg) are as follows: r(Ga•••B), 2.197(3); r(Ga−Ht), 1.555(6); r(Ga−Hb), 1.800(6); r(B−Ht), 1.189(7); r(B−Hb), 1.286(7); Hb−Ga−Hb, 71.6(4); and Hb−B−Hb, 110.0(5) (t = terminal, b = bridging). Aggregation of the molecules occurs in the condensed phases. X-ray crystallographic studies of a single crystal at 110 K reveal a polymeric network with helical chains made up of alternating pseudotetrahedral GaH4 and BH4 units linked through single hydrogen bridges; the average Ga•••B distance is now 2.473(7) Å. The compound decomposes in the condensed phases at temperatures exceeding ca. 240 K with the formation of elemental Ga and H2 and B2H6. The reactions with NH3, Me3N, and Me3P are also described.

Wave functions for the methane molecule

If the potential field due to the nuclei in the methane molecule is expanded in terms of a set of spherical harmonics about the carbon nucleus, only the terms involving s, f, and higher harmonic functions differ from zero in the equilibrium configuration. Wave functions have been calculated for the equilibrium configuration, first including only the spherically symmetric s term in the potential, and secondly including both the s and the f terms. In the first calculation the complete Hartree-Fock S.C.F. wave functions were determined; in the second calculation a variation method was used to determine the best form of the wave function involving f harmonics. The resulting wave functions and electron density functions are presented and discussed

The assignment of ν2 and ν4 of SO3

Three experiments have been performed to resolve an uncertainty in the assignment of ν2 and ν4 for SO3: (i) the gas phase Raman spectrum has been measured; (ii) the infrared active combination band ν3 + ν4 has been measured; (iii) a band contour calculation has been performed taking account of the ℓ-type resonance in ν4 and a strong Coriolis resonance between ν2 and ν4. These experiments establish beyond any doubt that ν2 lies at about 497.5 cm−1 and ν4 lies at about 530.2 cm−1. The contour calculation also shows that the Coriolis resonance gives rise to a positive intensity perturbation.

Vibration-rotation spectra and the harmonic force field of HOCl

Vibration-rotation spectra of HOCl have been measured at a resolution of 0.05 cm−1 to determine vibration rotation constants, and 35–37 Cl isotope shifts in the vibration frequencies. The spectrum of DOCl has also been recorded, and a preliminary analysis for the band origins has been made. The vibrational frequency data and centrifugal distortion constants have been used to determine the harmonic force field in a least-squares refinement; the force field obtained also gives a good fit to data on the vibrational contributions to the inertial defect. The equilibrium rotational constants of HOCl have been obtained, and an equilibrium structure has been estimated.

An anharmonic force field for SO3

An anharmonic force field for SO3 based on the valence force model has been investigated. The results of extending the model to include some further estimated cubic interaction potential constants have also been investigated. The phenomenological parameters calculated from both model force fields agree with those few values which have been experimentally determined. A calculation of the inertia defect has been made, and thus the value of C0 has been determined. The equilibrium structure has been determined to be: re = 1.4184 ± 0.0010 Å.

Vibrational overtone spectra of monofluoroacetylene: a preliminary report

High-resolution infrared and near-infrared spectra have been observed for more than 80 overtone bands of the HCCF molecule, including two CH stretching overtones in the visible region. Many of these have been analysed, and many more are in the course of analysis and will be reported later. All fundamentals have now been rotationally analysed and the equilibrium rotational constant determined. These data provide a testing ground for anharmonic force-field analyses, and they are discussed briefly in this connection.