104 research outputs found
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
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 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
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
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
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
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