Ionization potentials of phosphoryl compounds

Зверев, В. В.; Villem, Ya. Ya.

doi:10.1007/bf00754161

Cited by 5 publications

(3 citation statements)

References 5 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The ionization potential has been calculated as 9.94 eV. This compares very well (within 0.06 eV or 5.7 kJ Á mol À1 ) with the experimental value of the ionization potential of DMMP, 10.0 eV, reported by Zverev and Villem [6].…”

Section: Ionization Potentialmentioning

confidence: 97%

See 1 more Smart Citation

G3 calculations of the proton affinity and ionization energy of dimethyl methylphosphonate

Namazian¹,

Coote²

2008

The Journal of Chemical Thermodynamics

View full text Add to dashboard Cite

Section: Ionization Potentialmentioning

confidence: 97%

“…Ionization of flame-retardants as electrolyte additives or co-solvents in Li-ion batteries can affect their performance; therefore, the study of ionization energy of these compounds is also of interest. Zverev and Villem studied ionization potential of DMMP using photoelectron spectroscopy for which they reported the value of 10.00 eV [6].…”

Section: Introductionmentioning

confidence: 99%

G3 calculations of the proton affinity and ionization energy of dimethyl methylphosphonate

Namazian¹,

Coote²

2008

The Journal of Chemical Thermodynamics

View full text Add to dashboard Cite

“…Analogous results were obtained with compounds II and III. Though both the tertiary amine nitrogen and phosphoryl oxygen atoms exhibit pronounced proton-acceptor properties [1,2], the first of them is a stronger electron donor than the second (I 1~8 [3] and 10.5 eV [4] in tertiary amines and alkylphosphonates, respectively). Formation of an unstrained six-membered ring stabilizes the intramolecular hydrogen bond, whereas formation of a strained five-membered ring destabilizes it [5].…”

Section: äääääääääääämentioning

confidence: 99%

Hydrogen Bonds and Conformations of Dialkyl [1-Hydroxy-3-(dialkylamino)-2,2-dimethylpropyl]phosphonates

et al. 2005

Self Cite

View full text Add to dashboard Cite

Dialkyl [1-hydroxy-3-(dialkylamino)-2,2-dimethylpropyl]phosphonates (R 1 O) 2 P(O)CH(OH)CMe 2 CH 2 . NR 2 2 [R 1 = R 2 = Me (I); R 1 = Et, R 2 = Me (II); and R 1 = Me, R 2 = Et (III)], compounds with several competing proton3acceptor groups (NR 2 2 , P=O, and P3O) were studied by means of IR spectroscopy and quantum chemistry. It was established for the first time that, under corresponding conditions, these compounds are conformationally labile and can form various intramolecular and intermolecular hydrogen bonds. Hence, experiments with varied medium, phase state, and temperature revealed a well-resolved n(OH)

show abstract

The Impact of Interfacial Interactions on Structural, Electronic, and Sensing Properties of Poly(3‐methylthiophene) in Core‐Shell Nanocomposites. Application for Chemical Warfare Agent Simulants Detection

Ogurtsov

Мамыкин

Кукла

et al. 2022

Macro Materials & Eng

View full text Add to dashboard Cite

In this paper, structural, electronic, and sensing properties of the poly(3‐methylthiophene) (P3MT) in two types of its core–shell nanocomposites with multiwall carbon nanotubes (MWCNTs) and poly(vinylidene fluoride) with different contents of the P3MT component (shell) are explored and are compared. The results indicate specific changes in the P3MT properties appear due to its interfacial interactions with the MWCNTs and PVDF components. In the case of the doped P3MT, charge transfer from MWCNT to P3MT leads to partial dedoping of the latter. The evidence of intermolecular charge transfer complex formation between undoped P3MT (donor) and MWCNTs (acceptor) is obtained. Changes in the properties of P3MT in nanocomposites are used to detect and to reliably recognize some chemical warfare agent's simulants of nerve agents and mustard gas. The sensitivity dependences of the nanocomposites on their work functions, Hansen solubility parameters and analytes electronegativity are studied. It is shown that the sensor response is controlled by a partial charge transfer if the difference between the work function of the sensing material and the electronegativity of the analyte molecules does not exceed a certain value (in the case herein ≈0.3 eV).

show abstract

Ionization potentials of phosphoryl compounds

Cited by 5 publications

References 5 publications

G3 calculations of the proton affinity and ionization energy of dimethyl methylphosphonate

G3 calculations of the proton affinity and ionization energy of dimethyl methylphosphonate

Hydrogen Bonds and Conformations of Dialkyl [1-Hydroxy-3-(dialkylamino)-2,2-dimethylpropyl]phosphonates

The Impact of Interfacial Interactions on Structural, Electronic, and Sensing Properties of Poly(3‐methylthiophene) in Core‐Shell Nanocomposites. Application for Chemical Warfare Agent Simulants Detection

Contact Info

Product

Resources

About