Threshold ionization and dissociation of t-butylamine

2010 ◽  
Vol 88 (2) ◽  
pp. 142-149 ◽  
Author(s):  
Paul M. Mayer ◽  
Martyn F. Guest ◽  
Emma E. Rennie ◽  
Louise Cooper ◽  
Larisa G. Shpinkova ◽  
...  
Keyword(s):  
Triplet State ◽  
Photoelectron Spectrum ◽  
Appearance Energy ◽  
Ionization Energies ◽  
Methyl Group ◽  
Fragment Ions ◽  
A Value ◽  
Coincidence Spectra ◽  
First Time ◽  
Vertical Ionization Energies

The threshold photoelectron spectrum of t-butylamine, recorded between 8 and 28 eV, is reported for the first time. The spectrum was compared to orbital ionization energies calculated at the OVGF/cc-pVTZ level of theory. The adiabatic and vertical ionization energies of the outermost orbital (made up primarily of the nitrogen p orbital) are 8.48 ± 0.02 and 9.40 ± 0.02 eV, respectively. Threshold photoelectron photoion coincidence spectra were recorded between 8.5 and 35 eV, and appearance energies for 15 fragment ions were obtained. The lowest energy dissociation is the loss of a methyl group to form the (CH3)2CNH2+ ion. RRKM fitting of this dissociation leads to a ΔfH298 for (CH3)2CNH2+ of 603 ± 3 kJ mol–1. This value is ~10 kJ mol–1 higher than the previously derived value of Lossing et al. (based on an electron ionization appearance energy value) and the G3B3 estimate. Together with the proton affinity value of 932.3 kJ mol–1, the present ΔfH298 leads to a ΔfH298 for 2-propanimine (CH3)2C=NH of 5.3 kJ mol–1, which can be compared to a value of –5.7 kJ mol–1 (based on the Lossing et al. (CH3)2CNH2+ ΔfH298) and a G3B3 value of –0.3 kJ mol–1. At photon energies above 26 eV, there is evidence for the dissociative double ionization of t-butylamine forming either the singlet or triplet state of the dication.

scholarly journals Intriguing C–H⋯Cu interactions in bis-(phenanthroline)Cu(i) redox mediators for dye-sensitized solar cells

2018 ◽  
Vol 47 (4) ◽  
pp. 1018-1022 ◽  
Author(s):  
Alessia Colombo ◽  
Rachele Ossola ◽  
Mirko Magni ◽  
Dominique Roberto ◽  
Denis Jacquemin ◽  
...  
Keyword(s):  
Solar Cells ◽  
Dye Sensitized Solar Cells ◽  
Redox Mediators ◽  
Methyl Group ◽  
Dye Sensitized ◽  
Copper Site ◽  
First Time ◽  
Sensitized Solar Cells

For the first time, an anagostic interaction is found between a H atom of a methyl group and a copper site in the bis-2-tertbutyl(phenanthroline)Cu(i) complex.

Postmoney theory: value function in the domain of postmoney

foresight ◽  
2018 ◽  
Vol 20 (5) ◽  
pp. 554-570
Author(s):  
Boyan Christov Ivantchev
Keyword(s):  
Social Impact ◽  
Value Function ◽  
Human Life ◽  
Intrinsic Value ◽  
Panel Study ◽  
Economic Research ◽  
Strong Base ◽  
Content Type ◽  
A Value ◽  
First Time

Purpose The purpose of this study is to research the latest quantitative and qualitative transformations of money and its interaction with the market economy and societies in terms of their influence on the inner nature of money and its transformation from a simple tool to an aim per se, i.e. postmoney. Transforming the perception of the intrinsic value and “soul” of the money into the postmoney, influenced by the rising longevity and wide expectation for the ability to scientifically prolong the human life, will be discussed. This transformation will be confirmed by analysing the results from a national representative sociological survey (panel study with sample size n = 1,000). Design/methodology/approach The author uses the following philosophical methodological approaches – comparative-constructive, phenomenological, cognitive and deconstructive analysis. Findings The objective and qualitative reasons offered by the postmoney theory (PMT) for the transformation of money into postmoney, are related to the being of temporality, as well as to technologization and the sixth factor of production, scientific exponentiality and mental changes in the human being. A current postmoney survey gives a strong base to believe that the perception of an intrinsic value of postmoney changes the shape of a value function – from logarithmic to linear or even stochastic. This is the reason to believe that increasing of a postmoney quantity will lead to a qualitative transformation and psychological increase of postmoney sensitivity. Research limitations/implications The author intends to expand the postmoney survey on the international level so to confirm local findings. Practical implications Postmoney survey might be used as a powerful tool in creating and legalizing non-monistic money based on blockchain technologies and philosophical and socio-economic research of the postmoney issue. Social implications The future of money is of great importance for the exponentiality of the socio-economic environment and societies. Social impact of the money will be inevitably rising in the domain of postmoney perception. Originality/value The author of the current paper coined for the first-time notion of postmoney and now is expanding research developing PMT. As per the best knowledge of the author, shape of the curve of value function was not questioned and believes it might be of help to better understand the money phenomenon.

Infra-red chemiluminescence II. Spectroscopic data

1960 ◽  
Vol 258 (1295) ◽  
pp. 564-575 ◽  
Keyword(s):  
Transition Probabilities ◽  
Molecular Spectroscopy ◽  
Radiative Transition ◽  
Absorption Data ◽  
A Value ◽  
Interaction Factor ◽  
Infra Red ◽  
Rotational Distribution ◽  
Vibration Rotation ◽  
First Time

The technique described in part I has been used to obtain constants of interest in molecular spectroscopy. The vibration-rotation interaction factor, F for HCl has been evaluated from the infra-red emission spectrum. The critical parameter in F is θ = M 0 / M 1 r e , where M 0 and M 1 are the first two coefficients in the electric dipole moment expansion about the equilibrium internuclear distance r e . A value of θ = + 1.12 ± 0.18 has been obtained. It is shown that for molecules with θ = +1 the total band intensity in emission is independent of the rotational distribution in the vibrational state from which the emission occurs. This has been made use of in evaluating radiative transition probabilities. For the HCl v (3-1) transition a value for | R 3 1 | 2 (= 1.60 x 10 -4 debye 2 ) was obtained for the first time. The same method yields a value of | R 2 1 | 2 / | R 2 0 | 2 = 204, in good agreement with an earlier estimate from absorption data.

scholarly journals Constitution and Modernization of Legislation: Proceedings of the XV International School of Young Legal Scholars (Moscow, May 27 – June 5, 2020)

2020 ◽  
Author(s):  
A.Ya. Kapustin ◽  
I.I. Kucherov ◽  
S.A. Sinitsyn ◽  
A.I. Kovler ◽  
Yu.N. Kashevarova
Keyword(s):  
Russian Federation ◽  
Comparative Law ◽  
International School ◽  
International Union ◽  
A Value ◽  
The Russian Federation ◽  
The Government ◽  
Legal Understanding ◽  
First Time ◽  
Epidemiological Situation

Modern constitutional transformations, asserting a “value” legal understanding, actualize theoretical and practical problems of legislative regulation, serve as a prereq- uisite for rethinking the essence, role and significance of law in the life of society, and determine the formulation of a number of issues related, first of all, to the qualitative implementation of novelties. This collection reflects the diversity and depth of scientific discussions of the XV In- ternational school of young legal scholars on the topic “Constitution and modernization of legislation”, which was held by the Institute of legislation and comparative law under the Government of the Russian Federation in cooperation with the International Union of lawyers. In the context of a difficult epidemiological situation related to the spread of corona- virus infection, in order to protect the health of conference participants, the organizing Committee decided to hold the XV School remotely (by correspondence). For the first time, all its scientific events were held online. The participants had a unique opportunity to communicate with the direct developers of amendments to the Constitution of the Russian Federation, present their reports in a new format.

scholarly journals The high-energy band in the photoelectron spectrum of alkanes and its dependence on molecular structure

1999 ◽  
Vol 64 (11) ◽  
pp. 673-680 ◽  
Author(s):  
Ivan Gutman ◽  
Viktorija Gineityte ◽  
Mirko Lepovic ◽  
Miroslav Petrovic
Keyword(s):  
Molecular Structure ◽  
Energy Band ◽  
Photoelectron Spectrum ◽  
Line Graph ◽  
Energy Levels ◽  
Molecular Graph ◽  
High Energy ◽  
Saturated Hydrocarbons ◽  
Ionization Energies ◽  
Laplacian Eigenvalues

In the model for the ionization energies of the C2s-electrons in saturated hydrocarbons, put forward by Heilbronner et al., the energy levels are calculated as eigenvalues of the line graph of the hydrogen-filled molecular graph. It is now shown that in the case of alkanes, these energy levels are related to the Laplacian eigenvalues of the molecular graph. A few rules are formulated, relating these ionization energies with molecular structure.

Direct visualization of a vast cortical calcium compartment in Paramecium by secondary ion mass spectrometry (SIMS) microscopy: possible involvement in exocytosis

1995 ◽  
Vol 108 (5) ◽  
pp. 1895-1909 ◽  
Author(s):  
N. Stelly ◽  
S. Halpern ◽  
G. Nicolas ◽  
P. Fragu ◽  
A. Adoutte
Keyword(s):  
Mass Spectrometry ◽  
Secondary Ion Mass Spectrometry ◽  
Membrane Vesicles ◽  
Cell Periphery ◽  
A Value ◽  
External Reference ◽  
Ion Mass Spectrometry ◽  
First Time ◽  
Secondary Ion

The plasma membrane of ciliates is underlaid by a vast continuous array of membrane vesicles known as cortical alveoli. Previous work had shown that a purified fraction of these vesicles actively pumps calcium, suggesting that alveoli may constitute a calcium-storage compartment. Here we provide direct confirmation of this hypothesis using in situ visualization of total cell calcium on sections of cryofixed and cryosubstituted cells analyzed by SIMS (secondary ion mass spectrometry) microscopy a method never previously applied to protists. A narrow, continuous, Ca-emitting zone located all along the cell periphery was observed on sections including the cortex. In contrast, Na and K were evenly distributed throughout the cell. Various controls confirmed that emission was from the alveoli, in particular, the emitting zone was still seen in mutants totally lacking trichocysts, the large exocytotic organelles docked at the cell surface, indicating that they make no major direct contribution to the emission. Calcium concentration within alveoli was quantified for the first time in SIMS microscopy using an external reference and was found to be in the range of 3 to 5 mM, a value similar to that for sarcoplasmic reticulum. After massive induction of trichocyst discharge, this concentration was found to decrease by about 50%, suggesting that the alveoli are the main source of the calcium involved in exocytosis.

scholarly journals Origin band of the first photoionizing transition of hydrogen isocyanide

2019 ◽  
Vol 21 (5) ◽  
pp. 2337-2344 ◽  
Author(s):  
Bérenger Gans ◽  
Gustavo A. Garcia ◽  
Séverine Boyé-Péronne ◽  
Stephen T. Pratt ◽  
Jean-Claude Guillemin ◽  
...  
Keyword(s):  
Photon Energy ◽  
Photoelectron Spectrum ◽  
Hydrogen Isocyanide ◽  
First Time

The photoelectron spectrum of the X1Σ+ → X+2Σ+ ionizing transition of hydrogen isocyanide (HNC) is measured for the first time at a fixed photon energy (13 eV).

Rearrangements in the Molecular Ions of Some ortho-Substituted Schiff Bases

1993 ◽  
Vol 46 (6) ◽  
pp. 895 ◽  
Author(s):  
T Blumenthal ◽  
M Dosen ◽  
RG Gillis ◽  
QN Porter
Keyword(s):  
Kinetic Energy ◽  
Schiff Bases ◽  
Molecular Ions ◽  
Energy Spectra ◽  
Supporting Evidence ◽  
Deuterium Labelling ◽  
Methyl Group ◽  
Molecular Ion ◽  
Fragment Ions ◽  
Ion Kinetic Energy

Under electron ionization conditions, the ortho-substituted Schiff bases N-benzylidene-o-toluidine (1a), N-(o-methylbenzylidene)aniline (1b), N-salicylideneaniline (1c) and N-(o-methoxybenzylidene)aniline (1d) give fragment ions which have been shown by collision-activated mass-analysed ion kinetic energy spectra to have the structure of the protonated molecular ions of indole (2), benzofuran (3), and 1,2-benzisoxazole (4). The molecular ion of N-(o-methylbenzylidene)-o-toluidine (1f) gives as fragment ions not only the protonated molecular ion (2) of indole and the tropylium ion but also the molecular ion of anthracene. Attempts to find supporting evidence for a mechanism for this rearrangement by deuterium labelling of a methyl group in (1b), such as (1g), have been unsuccessful.

Sulfenic acids in the gas phase. Preparation, ionization energies and heats of formation of methane-, ethene-, and benzenesulfenic acid

1988 ◽  
Vol 53 (9) ◽  
pp. 2140-2158 ◽  
Author(s):  
František Tureček ◽  
Libor Brabec ◽  
Tomáš Vondrák ◽  
Vladimír Hanuš ◽  
Josef Hájíček ◽  
...  
Keyword(s):  
Experimental Data ◽  
Gas Phase ◽  
Radical Cations ◽  
Appearance Energy ◽  
Heats Of Formation ◽  
Ionization Energies ◽  
Flash Vacuum Pyrolysis ◽  
Vacuum Pyrolysis ◽  
Mndo Calculations ◽  
Sulfenic Acids

Methane-, ethene-, and ethynesulfenic acids were generated in the gas phase by flash-vacuum pyrolysis of the corresponding tert-butyl sulfoxides at 400 °C and 10-4 Pa. Benzenesulfenic acid was prepared from phenyl 3-buten-1-yl sulfoxide at 350 °C and 10-4 Pa. The sulfenic acids were characterized by mass spectrometry Threshold ionization energies (IE) were measured as IE(CH3SOH) = 9·07 ± 0·03 eV, IE(CH2=CHSOH) = 8·70 ± 0·03 eV, IE(HCCSOH) = 8·86 ± 0·04 eV, and IE(C6H5SOH) = 8·45 + 0·03 eV. Radical cations [CH3SOH].+, [CH2=CHSOH].+, and [HCCSOH].+ were generated by electron-impact-induced loss of propene from the corresponding propyl sulfoxides and their heats of formation were assessed by appearance energy measurements as 685, 824, and 927 kJ mol-1, respectively. Heats of formation of the neutral sulfenic acids and the S-(O) (C), S-(O) (Cd), S-(O) (Ct) and S-(O) (CB) group equivalents were determined. The experimental data, supported by MNDO calculations, point to sulfenate-like structures (R-S-OH) for the sulfenic acids under study.

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