An ESCA Investigation of Ambident Ions and Tautomerism. N-Cyanobenzamides and Benzohydroxamic Acids.

Lindberg, Bernt J.; Berndtsson, Anders; Nilsson, Rune; Nyholm, R.; Exner, Otto; Fernholt, Liv; Gundersen, Grete; Nielsen, Claus J.; Cyvin, Bjørg N.; Cyvín, S. J.

doi:10.3891/acta.chem.scand.32a-0353

Cited by 41 publications

(19 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The order of gas phase stability found using ab initio methods employing MP2/AUG‐cc‐PVDZ is 1Z > 2Z > 1E > 2E > 2Z (2) > 2E (2) > Zwitter ion (Table I) and it agrees well with Wu and Ho reports 49. Though the dominance of 1Z conformation for FHA and other related hydroxamic acids in the gas phase is well recognized but the equilibrium between the keto tautomeric Z‐E forms of acetohydroxamic acid is suggested in the solution phase by Lindberg et al 50 and Brown et al 51. Garcia et al concluded on the basis of NMR spectra of benzohydroxamic acid (BHA) in acetone that BHA is present mainly as the E conformation, the Z‐conformation being only 25% of the total population 52.…”

Section: Resultssupporting

confidence: 77%

Intra and intermolecular hydrogen bonding in formohydroxamic acid

Kaur

Kohli

2007

Int J of Quantum Chemistry

View full text Add to dashboard Cite

ABSTRACT:The presence of hydrogen bonding interactions in several tautomeric forms of formohydroxamic acid (FHA) and 1:1 association among the tautomeric forms and water-coordinated tautomeric forms of FHA is explored theoretically. Out of the seven equilibrium structures, four tautomeric forms have been selected for aggregation with single water molecule and dimer formation. Fifteen aggregates of FHA with H 2 O have been optimized at MP2/AUG-cc-PVDZ level and analyzed for intramolecular and intermolecular H-bond interactions. Twenty-seven dimers of the four tautomeric forms have been obtained at MP2/6-31ϩG* level. The stabilization energies associated with dimerization and adduct formation with water are the result of H-bond interactions and range from very weak to medium. The atomic charges and NBO analysis indicate that the electrostatic and the charge transfer are the important components favoring H-bond formation.

show abstract

Section: Resultssupporting

confidence: 77%

Intra and intermolecular hydrogen bonding in formohydroxamic acid

Kaur

Kohli

2007

Int J of Quantum Chemistry

View full text Add to dashboard Cite

show abstract

“…The O 1s spectrum consisted of two peaks of approximately equal intensity; a relatively narrow (1.4 eV) one at 531.5 eV and a broader (1.9 eV) component at 533.4 eV. A binding energy of 533.4 eV is similar to that for physically adsorbed water, but the concentration of O based on the total O 1s intensity was double that of N based on the N 1s intensity, as expected, consequently in this case the component at 533.4 eV appears to correspond to O in the OH bonded to N. The O 1s binding energies observed for n-octanohydroxamic acid are in broad agreement with the values of 531.8 and 533.8 eV obtained by Lindberg et al (1978) for bulk benzohydroxamic acid. A binding energy of 531.5 eV is close to the value of 531.4 eV observed for carbonyl O in polyamides (Solomun et al, 2004).…”

Section: Solid N-octanohydroxamic Acid Studiessupporting

confidence: 88%

The interaction of n-octanohydroxamate with chrysocolla and oxide copper surfaces

Hope

Buckley

Parker

et al. 2012

Minerals Engineering

View full text Add to dashboard Cite

a b s t r a c tVibrational spectroscopy and XPS have been used to investigate the interaction of n-octanohydroxamate with the surfaces of chrysocolla and other oxide copper minerals, as well as with the native oxide on copper metal. XPS investigations of low collector coverage at pH 9.5 confirmed that copper hydroxamate was formed at the mineral/collector interface. Multilayers were formed at all surfaces investigated, probably with minor ($15%) co-adsorption of hydroxamic acid. The coverage at conditioned chrysocolla surfaces tended to be less uniform than coverage at the 'well-defined' oxide minerals. There was also some evidence for the formation of an Al hydroxamate species at the chrysocolla surface.

show abstract

“…With respect to O-1s spectra (Fig. 5d ), the peak is composed of two contributions at 530.1 eV and 533.85 eV, which represent O 2- and PO 4 3- group [ 45 , 46 ]. The deconvolution of Zn-2p 3/2 spectra (Fig.…”

Section: Resultsmentioning

confidence: 99%

Influence of bovine serum albumin on corrosion behaviour of pure Zn in phosphate buffered saline

Liu

Lü

Zhang³

2021

J Mater Sci: Mater Med

View full text Add to dashboard Cite

Zinc (Zn) and its alloys have received increasing attention as new alternative biodegradable metals. However, consensus has not been reached on the corrosion behaviour of Zn. As cardiovascular artery stent material, Zn is supposed to contact with plasma that contains inorganic salts and organic components. Protein is one of the most important constitute in the plasma and could adsorb on the material surface. In this paper, bovine serum albumin (BSA) was used as a typical protein. Influences of BSA on pure Zn corrosion in phosphate buffered saline is investigated as a function of BSA concentrations and immersion durations by electrochemical techniques and surface analysis. Results showed that pure Zn corrosion was progressively accelerated with BSA concentrations (ranging from 0.05 to 5 g L−1) at 0.5 h. With time evolves, formation of phosphates as corrosion product was delayed by BSA adsorption, especially at concentration of 2 g L−1. Within 48 h, the corrosion of pure Zn was alleviated by BSA at concentration of 0.1 g L−1, whereas the corrosion was enhanced after 168 h. Addition of 2 g L−1 BSA has opposite influence on the pure Zn corrosion. Furthermore, schematic corrosion behaviour at protein/Zn interfaces was proposed. This work encourages us to think more about the influence of protein on the material corrosion and helps us to better understand the corrosion behaviour of pure Zn.

show abstract

An ESCA Investigation of Ambident Ions and Tautomerism. N-Cyanobenzamides and Benzohydroxamic Acids.

Cited by 41 publications

References 0 publications

Intra and intermolecular hydrogen bonding in formohydroxamic acid

Intra and intermolecular hydrogen bonding in formohydroxamic acid

The interaction of n-octanohydroxamate with chrysocolla and oxide copper surfaces

Influence of bovine serum albumin on corrosion behaviour of pure Zn in phosphate buffered saline

Contact Info

Product

Resources

About