On the structure of the radical cation formed from ethylene oxide in the CFCl3 matrix

Snow, Larry D.; Williams, Ffrançon

doi:10.1016/0009-2614(88)87059-3

Cited by 24 publications

(3 citation statements)

References 32 publications

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“…However, later extensive electron spin resonance (ESR) studies reached contradictory conclusions. From radiolytic oxidation of oxirane in a freon matrix it was concluded (Snow & Williams, 1988) that the ring‐opened isomer is generated, whereas Symons & Wyatt (1988) claimed that the ring‐intact structure is formed. …”

Section: Bond Weakening Versus Bond Reinforcement In Ion–moleculementioning

confidence: 99%

Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies

Alcamı́¹,

Mó²,

Yáñez³

2001

Mass Spectrometry Reviews

167

144

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In this review, we present a brief summary of the theoretical methods most frequently used in gas-phase ion chemistry. In subsequent sections, the performance of these methods is analyzed, paying attention to the reliability of geometries, vibrational frequencies, energies, and entropies. The possible pathologies of the different methods, in the form of instabilities of the wave function or spin contamination problems, are discussed. Several examples are presented to illustrate the usefulness of ab initio or density functional theory (DFT) methods to predict the existence of elusive molecules and/or to characterize non-conventional structures, and to rationalize the charge redistributions normally associated with ion-molecule interactions and which result in bond-weakening or bond-reinforcement effects. Finally, the role of non-classical structures in ion-molecule interactions is also illustrated with different examples.

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Section: Bond Weakening Versus Bond Reinforcement In Ion–moleculementioning

confidence: 99%

Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies

Alcamı́¹,

Mó²,

Yáñez³

2001

Mass Spectrometry Reviews

167

144

View full text Add to dashboard Cite

show abstract

“…Der Strukturbeweis f¸r (C,C)-ringoffene Spezies wurde durch ESR-Spektroskopie geliefert [30]. Durch NR-MS (neutralization/re-ionization mass spectrometry) wurden von McLafferty et al …”

Section: In Einerunclassified

Der Mechanismus der Alken‐Ozonolyse – eine kritische Betrachtung

Schank

2004

Helvetica Chimica Acta

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The Mechanism of Alkene Ozonolysis ± a Critical Examination Alkene ozonolyses have been carried out in experimental organic chemistry for more than a century, and a lucid description of the underlying reaction mechanism has been developped and integrated in most chemistry textbooks. Nevertheless, there are a great number of exceptions hard to rationalize by the accepted mechanism. Attempts in the past to give more-convincing answers to this problem failed. Therefore, the search for an alternative mechanistic model without contradictions is compelling. The present paper offers a redox model based upon the known properties of ozone both as a strong oxidant and an O-atom-transferring agent, especially when reacted with alkenes of sufficiently high electron density to act as reducing partners. Harries

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“…КР эпоксидов (оксиранов)Исследование влияния строения КР эпоксидов (оксиранов) на направление и эффективность их фотохимических реакций в условиях матричной стабилизации представляло интерес для исследователей по причинам высокой лабильности и разнообразия возможных каналов их превращений. К началу наших исследований этого класса КР сложились определенные представления о природе КР, стабилизирующихся во фреоновых матрицах при 77 К[33][34][35][36]. Авторы этих работ полагали, что КР оксиранов, образующиеся при косвенной ионизации во фреоновых матрицах, стабилизируются в «открытой» делокализованной форме в результате разрыва связи C-C в оксирановом цикле.…”

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Photochemistry of Radical Cations of Some Organic Oxygen-Containing Compounds in Frozen Matrices

Melnikov,

Gromov,

Pergushov

et al. 2024

Lomonosov Chemistry Journal

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The review is dedicated to the photochemical reactions of radical cations (RC) of various organic oxygen-containing compounds stabilized in low-temperature matrices. The nature of RC and the products of their photochemical reactions has been established via quantum chemistry, electron paramagnetic resonance (EPR) and low-temperature optical spectroscopy. Depending on the structure of the precursor molecule, various mechanisms of photoconversion arise for these RC: charge transfer to matrix molecules, hydrogen atom and proton transfer, isomerization, dissociation. This study allowed us to posit that there is no correlation between the structure of the molecule of the precursor molecule and the variety of available phototransformation channels for the corresponding RC in frozen matrices.

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On the structure of the radical cation formed from ethylene oxide in the CFCl3 matrix

Cited by 24 publications

References 32 publications

Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies

Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies

Der Mechanismus der Alken‐Ozonolyse – eine kritische Betrachtung

Photochemistry of Radical Cations of Some Organic Oxygen-Containing Compounds in Frozen Matrices

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