Szczegóły publikacji
Opis bibliograficzny
Vibrational characterization of $\alpha$-aminophosphinic acid derivatives of pyridine: DFT, Raman and SERS spectroscopy studies / Ewa Pięta, Edyta PRONIEWICZ, Andrzej Kudelski, Tomasz K. Olszewski, Bogdan Boduszek // Vibrational Spectroscopy ; ISSN 0924-2031. — 2016 — vol. 83, s. 115–125. — Bibliogr. s. 124–125, Abstr. — Publikacja dostępna online od: 2016-02-05
Autorzy (5)
- Pięta Ewa
- AGHProniewicz Edyta
- Kudelski Andrzej
- Olszewski Tomasz K.
- Boduszek Bogdan
Słowa kluczowe
Dane bibliometryczne
| ID BaDAP | 96195 |
|---|---|
| Data dodania do BaDAP | 2016-02-16 |
| Tekst źródłowy | URL |
| DOI | 10.1016/j.vibspec.2016.02.001 |
| Rok publikacji | 2016 |
| Typ publikacji | artykuł w czasopiśmie |
| Otwarty dostęp |  |
| Czasopismo/seria | Vibrational Spectroscopy |
Abstract
This paper shows Fourier-transform Raman (FT–RS) and surface-enhanced Raman spectroscopy (SERS) studies of three α-aminophosphinic acid derivatives of pyridine: [(butylamino)(pyridin-2-yl)methyl]phenylphosphinic acid (α-PyNH), [(butylamino)(pyridin-3-yl)methyl]phenylphosphinic acid (β-PyNH), and [(benzylamino)(pyridin-4-yl)methyl]phenylphosphinic acid (γ-PyNH) immobilized onto colloidal sol nanoparticles and electrochemically roughened surface of silver. The molecular geometries and vibrational wavenumbers were calculated based on density functional theory (DFT) at the B3LYP 6-311G(df,p) level of theory. Based on the comparison of the FT–RS experimental and theoretical vibrational bands with the SERS results the orientation of the α-aminophosphinic acid derivatives of pyridine onto two silver substrates was proposed. The changes in the adsorption process under the influence of the position of substituent in regard to the ring N atom (in α-, β-, and γ-positions, respectively) and modification of the substituent (replacement of the butyl chain by the phenyl ring of high affinity to silver (γ-PyNH)) were also discussed.
