The Vocabulary and Concepts of Organic Chemistry

Orchin, Milton; Macomber, Roger S.; Pinhas, Allan R.; Wilson, R. Marshall

doi:10.1002/0471713740

Cited by 34 publications

(18 citation statements)

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“…The C-NH 2 bond dissociation energy is in the range of 3.7 eV and C=O is in the range of 7.6 eV (in ketones) [30,31], while both the electron affinities of O (1.44 eV) and NH 2 (0.77 eV) are well established (Tab. 1) leading to thermodynamic thresholds of about 2.9 eV and 6.2 eV for NH − 2 and O − formation, respectively.…”

Section: Gas Phase Dea Reactionsmentioning

confidence: 99%

Low energy electron induced reactions in fluorinated acetamide – probing negative ions and neutral stable counterparts*

et al. 2016

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Abstract. Electron impact to trifluoroacetamide (CF3CONH2, TFAA) in the energy range 0-12 eV leads to a variety of negative fragment ions which are formed via dissociative electron attachment (DEA). The underlying reactions range from single bond cleavages to remarkably complex reactions that lead to loss of the neutral units HF, H2O and HNCO as deduced from their directly observed ionic counterparts (M -H2O) − , (M -HF) − and (M -HNCO) − . Also formed are the pseudo-halogen ions CN − and OCN − . All these reactions proceed dominantly via a resonance located near 1 eV, i.e., electrons at subexcitation energies trigger reactions involving multiple bond cleavages. The electron induced generation of the neutral molecules HF, H2O and HNCO in condensed TFAA films is probed by temperature controlled thermal desorption spectrometry (TDS) which can be viewed as a complementary techniques to gas-phase experiments in DEA to directly probe the neutral counterparts.

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Section: Gas Phase Dea Reactionsmentioning

confidence: 99%

Low energy electron induced reactions in fluorinated acetamide – probing negative ions and neutral stable counterparts*

et al. 2016

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“…where ( An atomic orbital is a mathematical function that describes the wave-like behavior of a single electron in an atom [6]. This function can be used to calculate the probability of finding any electron of an atom in any specific region around its nucleus.…”

Section: Analytical Calculationsmentioning

confidence: 99%

A Theoretical Method for Calculating the Bond Integral Parameter for Atomic Orbitals

Igram¹,

Ribblett²,

Hedin³

et al. 2015

IJCTC

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Abstract:In molecular orbital theory, the bond integral parameter k is used to calculate the bond integral β for different molecular structures. The bond integral parameter k, which represents the ratio of bond integrals between two atoms of a diatomic molecule, is a function of the bond length. This parameter is usually obtained empirically; however, it will be shown that k can be determined analytically by utilizing the overlap integral S. k will be calculated for different atomic orbital combinations (ss,pp) of σ and π interactions as a function of bond length for a carbon-carbon diatomic molecule. The results, which are represented graphically, indicate that different atomic orbitals in different interactions can have the same, or very close to the same, k values. The graphs reveal some significant features for the different atomic orbital combinations with respect to magnitude and profile, as well as illustrate good agreement with experimental results, which validates the utilization of the overlap integral calculation method for the determination of the bond integral parameter k.

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“…It is the configurational isomers in the system that give rise to chiral properties. Included in configurational isomers are two distinct classes of stereoisomers: enantiomers and diastereoisomers [2]. Enantiomers are two molecules that are related to one another as object and nonsuperimposable mirror image, as shown in the upper part of Fig.…”

Section: Molecular Asymmetrymentioning

confidence: 99%

Symmetry and Chirality in Liquid Crystals

Goodby¹

1998

Handbook of Liquid Crystals Set

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The Vocabulary and Concepts of Organic Chemistry

Cited by 34 publications

References 0 publications

Low energy electron induced reactions in fluorinated acetamide – probing negative ions and neutral stable counterparts*

Low energy electron induced reactions in fluorinated acetamide – probing negative ions and neutral stable counterparts*

A Theoretical Method for Calculating the Bond Integral Parameter for Atomic Orbitals

Symmetry and Chirality in Liquid Crystals

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