Raman, infrared, SERS and theoretical study of 3-(1-phenylpropan-2-ylamino) propanenitrile, fenproporex

被引：3

作者：

Diaz Fleming, Guillermo ^{[1
]}

Celis, Freddy ^{[2
]}

Campos-Vallette, Marcelo ^{[3
]}

Aliaga, Alvaro E. ^{[3
]}

Escobar, Marcela ^{[4
]}

Koch, Rainer ^{[5
,6
]}

机构：

[1] Univ Playa Ancha, Mol & Atom Spect Lab, Dept Chem, Fac Sci, Valparaiso, Chile

[2] Univ Santiago, Fac Chem & Biol, Santiago, Chile

[3] Univ Chile, Fac Sci, Mol Spect Lab, Dept Chem, Santiago, Chile

[4] Univ Valparaiso, Fac Pharm, Valparaiso, Chile

[5] Carl von Ossietzky Univ Oldenburg, Inst Pure & Appl Chem, D-26111 Oldenburg, Germany

[6] Carl von Ossietzky Univ Oldenburg, Ctr Interface Sci, D-26111 Oldenburg, Germany

来源：

JOURNAL OF RAMAN SPECTROSCOPY | 2011年 / 42卷 / 07期

关键词：

fenproporex; infrared; Raman; SERS; DFT calculations; SURFACE-ENHANCED RAMAN; DENSITY-FUNCTIONAL THEORY; SPECTROSCOPY; SCATTERING; ELEMENTS; SILVER; GOLD; TEMPERATURE;

D O I：

10.1002/jrs.2882

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

Infrared, Raman and surface-enhanced Raman scattering (SERS) spectra of 3-(1-phenylpropan-2-ylamino) propanenitrile (fenproporex) have been recorded. Density functional theory (DFT) with the B3LYP functional was used for optimizations of ground state geometries and simulation of Raman and SERS vibrational spectra of this molecule. Bands of the vibrational spectra were assigned in detail. The comparison of SERS spectra obtained by using colloidal silver and gold nanoparticles with the corresponding Raman spectrum reveals enhancement and shifts in bands, suggesting a possible partial charge-transfer mechanism in the SERS effect. Information about the orientation of fenproporex on the nanometer-sized metal structures is also obtained. Copyright (c) 2011 John Wiley & Sons, Ltd.

引用

页码：1497 / 1504

页数：8

共 46 条

[1] ENERGY-ADJUSTED ABINITIO PSEUDOPOTENTIALS FOR THE 2ND AND 3RD ROW TRANSITION-ELEMENTS [J].

ANDRAE, D ;

HAUSSERMANN, U ;

DOLG, M ;

STOLL, H ;

PREUSS, H .

THEORETICA CHIMICA ACTA, 1990, 77 (02) :123-141

[2] DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].

BECKE, AD .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652

[3] Characterization of the solid-state: spectroscopic techniques [J].

Bugay, DE .

ADVANCED DRUG DELIVERY REVIEWS, 2001, 48 (01) :43-65

[4] Surface-enhanced Raman scattering [J].

Campion, A ;

Kambhampati, P .

CHEMICAL SOCIETY REVIEWS, 1998, 27 (04) :241-250

[5] Study of the interaction of pollutant nitro polycyclic aromatic hydrocarbons with different metallic surfaces by surface-enhanced vibrational spectroscopy (SERS and SEIR) [J].

Carrasco, EA ;

Campos-Vallette, M ;

Leyton, P ;

Diaz, G ;

Clavijo, RE ;

García-Ramos, JV ;

Inostroza, N ;

Domingo, C ;

Sanchez-Cortes, S ;

Koch, R .

JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (45) :9611-9619

[6]

Chang R.K., 1982, Surface Enhanced Raman Scattering

[7]

Cody J D, 1993, Forensic Sci Rev, V5, P109

[8] Imported Fenproporex-based Diet Pills from Brazil: A Report of Two Cases [J].

Cohen, Pieter A. .

JOURNAL OF GENERAL INTERNAL MEDICINE, 2009, 24 (03) :430-433

[9]

Collier W.C., 1996, QCPE B, V13, P16502

[10]

Creighton J. A., 1983, SURF SCI, V124, P208

← 1 2 3 4 5 →