Spectroscopy hybrid orbitals

Hofmann elimination of, 936-938 hybrid orbitals in, 19 hydrogen bonding in. 920 IR spectroscopy of, 428, 952 mass spectrometry of, 416, 954-955... 

The platinum(II)-ylide bond involves donation of a pair of electrons in a formally sp3 hybrid orbital on carbon to an empty orbital on platinum(II). The short bond lengths and XPES spectroscopy suggest some multiple bond character. 

Photoelectron spectroscopy reveals that the highest occupied molecular orbital (HOMO) in NHC is the lone pair in the sp hybrid orbital of the carbene carbon atom (see Figure 1.18). However, a molecular orbital with jt symmetry centred around the N-C-N heteroallyl system is of almost equal energy. This gives the carbene the ability to engage in n-face donor interactions with the transition metal fragment. For unsaturated NHC these n-face donor interactions are more favourable than for saturated ones [104]. 

The geometries found for the complexes of formaldehyde with Brst and second row cations in theoretical studies were analyzed in terms of molecular orbitals. Based on the results of photoelectron spectroscopy, it was argued that the carbonyl group contains two nonequivalent lone pairs an sp-hybridized orbital contains one pair of electrons along the C—O axis and a second, higher energy lone pair in a p-like orbital lies perpendicular to the C=0 axis (Figure 7). ... 

Stang and co-workers have reported a series of tetranuclear Pt-Pt and Pt-Pd squares 41 and 42, which bind Ag. In these molecules, ethynyl Pt units form two opposite corners of a square with a bite angle of 88° between the acetylenes. The complexation of 2 equiv. of Ag was observed by P, G, and H NMR as well as by UV/VIS and IR spectroscopy. The results indicate that the cations are held in the corners of the molecule by the two acetylene units as a result of the V-tweezer effect giving structures 43 and 44. Briefly, electron density from a filled acetylene TT-orbital is donated into a vacant i/)-hybridized orbital on the metal and backdonation occurs from filled metal... 

Interaction between energetic deuterium or tritium and wall materials such as graphite has been studied intensively in relation to nuclear fusion technology. For example, Okuno and coworkers (Morimoto and Okuno 2003 Oyaidzu et al. 2003) showed that deuterium implanted in highly oriented pyrolytic graphite revealed two kinds of C-D bonding (in sp and sp hybrid orbitals) as inspected by thermal desorption spectroscopy (TDS) and X-ray photoelectron spectroscopy (XPS). 

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