Photoelectron Spectroscopy of Adamantane and Some Adamantanones

The photoelectron (PE) spectra of adamantane (1) , adamantanone (2), 2-noradamantanone (3), 9-noradamantanone (4), 9-homonoradamantanone (5), 4-protoadamantanone (6), 4,5-protoadamantandione (7) an:l 2,6-adamantandione (8) were recorded

Mass Spectra of Labeled Cyclopentanols

The fragmentation of cyclopentanol has been studied by employing the deuterium labeling technique. Starting from the molecular ion the following specific processes could be established: loss of H from the position 1, loss of CH3 formed mainly from 2 (or 5) position after a-scission, loss of H 2 0 as a 1,3-elimination, and loss of C2H 5 generated from 2 and 3 or 4 and 5 positions plus one hydrogen from position 5 or 2, respectively. The results are discussed

Secondary a-Deuterium Isotope Effects in the Reaction of 2-Phenylethyltrimethylammonium Ion by Hydroxide Ion in Aqueous Solution and by Ethoxide Ion in Ethanol

Secondary a-deuterium isotope effects in the reaction of 2-phenylethyltrimethylammonium iodide with hydroxide ion in aqueous solution at 97.0° and with ethoxide ion in ethanol at 40.0° have been found to be very small. The results .suggest that the hydrogen compound reacts slightly faster than the deuterium compound. The secondary a-deuterium isotope effect in the reaction of 2-phenylethyl bromide with sodium ethoxide in ethanol is appreciably larger and ammounts to 9 per cent per deuterium atom at 59.8°. The mechanistic implications of these results are discussed

Mass Spectra of Labeled Cyclopentanols

The fragmentation of cyclopentanol has been studied by employing the deuterium labeling technique. Starting from the molecular ion the following specific processes could be established: loss of H from the position 1, loss of CH3 formed mainly from 2 (or 5) position after a-scission, loss of H 2 0 as a 1,3-elimination, and loss of C2H 5 generated from 2 and 3 or 4 and 5 positions plus one hydrogen from position 5 or 2, respectively. The results are discussed

Tables of Overlap Integrals. II. Bonds between Some First Row and Second Row Atoms

Tables of overlap integrals for some bonds between the first row atoms and the second row atoms are given. They are based on atomic orbitals o,f Clementi and include the basic overlap integrals of the valence shell orbitals only, i. e. overlaps between 2s anu 2p orbitals of the first row atoms with 3s and 3p orbitals of tne second row atoms. The intervals of interatomic distances are lim~ted so as to cover known _variations in bond lengths reported in the, literature

Tables of Overlap Integrals

Tables of overlap integrals for bonds between the first row atoms and their hydrides are given. They are based on atomic orbitals suggested by Clementi, which provide a more reliable guide to the description of bonds than do Slater orbitals. The region of interatomic distances is limited so as to cover known bond lengths found in the literature

Mass Spectral Study of Anthrone

The electron impact induced fragmentation of anthrone and its 10,1O-dideuterated analogue has been studied in the mass spectrometer using low and high resolution, as well as ion kinetic energy measurements. The most important process observed in the mass spectra is 105sof CO from the molecular ions with formation of ions of possible fluorenyl cation structure. Such ions, as shown earlier, undergo extensive hydrogen scrambling. In agreement with a fluorenyl cation structure, statistical loss of hydrogen in the fragmentation of anthrone is observed

Tables of Overlap Integrals. II. Bonds between Some First Row and Second Row Atoms

Tables of overlap integrals for some bonds between the first row atoms and the second row atoms are given. They are based on atomic orbitals o,f Clementi and include the basic overlap integrals of the valence shell orbitals only, i. e. overlaps between 2s anu 2p orbitals of the first row atoms with 3s and 3p orbitals of tne second row atoms. The intervals of interatomic distances are lim~ted so as to cover known _variations in bond lengths reported in the, literature

Mass Spectral Fragmentation Study of Substituted 1,3-Diphenyl- 2-pyrazolines

The electron impact induced fragmentation of twenty two 1,3- -diphenyl-2-pyrazolines mono-, di- and trisubstituted in one or in both phenyl rings was studied by deuterium labelling, high and low resolution mass spectrometry, and ion kinetic energy spectroscopy. The fragmentation patterns are discussed taking into account especially the nature of the substituent and the position of substitution. The results, compared with those for the unsubstituted compound, showed that in general the phenyl ring substitution does not affect its fragmentation. The formation of stable quinoid-type ions directs many fragmentation pathways of methoxy substituted compounds

Mass Spectral Fragmentation Study of Substituted 1,3-Diphenyl- 2-pyrazolines

The electron impact induced fragmentation of twenty two 1,3- -diphenyl-2-pyrazolines mono-, di- and trisubstituted in one or in both phenyl rings was studied by deuterium labelling, high and low resolution mass spectrometry, and ion kinetic energy spectroscopy. The fragmentation patterns are discussed taking into account especially the nature of the substituent and the position of substitution. The results, compared with those for the unsubstituted compound, showed that in general the phenyl ring substitution does not affect its fragmentation. The formation of stable quinoid-type ions directs many fragmentation pathways of methoxy substituted compounds