Hydrides diatomic

Effective Radii of Transition Metals in Diatomic Hydrides... 

Another study (200) presented IR data for a number of hydride and deuteride species. Using matrix-isolation spectroscopy in conjunction with a hollow-cathode, sputtering source (the apparatus for which is shown in Fig. 36), the IR-active vibrations of the diatomic hydrides and deuterides of aluminum, copper, and nickel were observed. The vibra-... 

Table 6.2 Atomic and Bond Properties of the Diatomic Hydrides of Periods 2 and 3a... 

Next, we illustrate these properties by discussing them together with some of the atomic properties for the diatomic hydrides of the elements of periods 2 and 3. 

The Diatomic Hydrides of Periods 2 and 3 6.9.1 Bond Critical Point Density... 

The bonding radius of A in a diatomic hydride AH at first decreases across a period and then increases because there is a competition between two opposing effects ... 

Figure 6.18 Contour maps of the ground state electronic charge distributions for the period 2 diatomic hydrides (including H2) showing the positions of the interatomic surfaces. The outer density contour in these plots is 0.001 au. (Reproduced with permission front Bader [1990].)...

The Assignment of Quantum Numbers for Electrons in Molecules. III. Diatomic Hydrides. Physic. Rev. 33, 730 (1929). 

Castro, T L. G. Ruiz-Suarez, J. C. Ruiz-Suarez, M. J. Molina, and M. Montero, Sensitivity Analysis of a UV Radiation Transfer Model and Experimental Photolysis Rates of NO, in the Atmosphere of Mexico City, Atmos. Environ., 31, 609-620 (1997). Crosley, D. R., Rotational and Translational Effects in Collisions of Electronically Excited Diatomic Hydrides, J. Phys. Chem., 93, 6273-6282 (1989). 

Crosley, D. R., Rotational and Translational Effects in Collisions of Electronically Excited Diatomic Hydrides, . /. Phys. Chem., 93, 6273-6282 (1989). 

The axially symmetric metal carbonyl fragments M(CO)n (n = 1, 3, 4) have three outpointing hybrid orbitals with a high proportion of s and p orbital character, which are suitable for forming cluster skeletal molecular orbitals (77, 78, 238). The number and radial characteristics of these frontier molecular orbitals, which are illustrated schematically in Fig. 26a, are reminiscent of the frontier orbitals of a main group diatomic hydride fragment E—H, where E = C or B (Fig. 26b). To describe this similarity the term isolobal has been introduced (77). Molecular orbital... 

A discussion of interatomic distances in diatomic hydrides is given in Section 7-11. 

Table 7-19.—Effective Radii of Metal Atoms in Diatomic Hydride Molecules MH...

D. E. Woon andT. H. Dunningjr.,/. Chem. Phys., 99,1914 (1993). Benchmark Calculations with Correlated Molecular Wave Functions. I. Multireference Configuration Interaction Calculations for the Second Row Diatomic Hydrides. 

Diatomic Hydrides of First-row Atoms, AH A. LiH and LiH .—LiH has been a favourite molecule of theoreticians, and many calculations have been reported in recent years. Early work has been listed in Richards bibliography,3 and Browne and Matsen7 have discussed more recent work. Calculations of molecular properties for a variety of small molecules, including LiH and various other hydrides, have been reviewed by Lipscomb.103... 

It is known from a variety of physical and chemical evidence that CO is a poor a donor and a good 7t acceptor, but the opposite is true of CN, while CNH can be expected to have intermediate properties. In a formal sense, carbon monoxide may be derived from the ligand CNH by coalescence of the nitrogen and hydrogen nuclei. The general observation, made in molecular spectroscopy, is that the electronic structure of a diatomic hydride resembles the combined atom more closely than the separated atoms. Thus, it is reasonable that the electronic structure of CNH will resemble CO more closely than CN-. This is also borne out by a semi-empirical self-consistent molecular orbital calculation, the results of which are summarized in Fig. 7. 

Cade, P. E., Huo, W. M. Electric dipole moment for first- and second-row diatomic-hydride molecules AH. J. Chem. Phys. 45,1063-65 (1966). 

Vibrationally excited diatomic molecules will only emit if they are polar, and most of the available results are for reactions which produce diatomic hydrides. Because of their unusually small reduced mass, these molecules have high frequency and very anharmonic vibrations, and their rotational levels are widely spaced. Consequently, their spectra can be resolved more easily than those of nonhydrides, where there are many more individual lines in the vibration-rotation spectrum. Furthermore, the molecular dynamics of these reactions are particularly interesting because of the special kinematic features that arise when an H atom is involved in a reactive collision and because these... 

Diatomic Hydrides—AH. A listing of electronic configurations and term types for the ground and first excited states of the higher diatomic hydrides as well as the first- and second-row diatomic hydrides is given in Herzberg [2]. 

Some potential curves of ground or excited states of first-row diatomic hydrides have been calculated by the valence-bond method or other types of configuration-interaction approach. 

D. Feller, J.A. Sordo, A CCSDT study of the effects of higher order correlation on spectroscopic constants. 1. First row diatomic hydrides, /. Chem. Phys. 112 (13) (2000) 5604-5610. 

It is demonstrated that the formula for the vibrational energy states of a diatomic molecule should be written as En/hc = Go ioj n - - 1/2) — (OeX (n + 1/2) with non-zero Go. Go values are evaluated for some diatomic hydrides and the effect of Go on the theoretical calculation of isotopic exchange equilibrium constants is shown. 

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