Dissociative electron attachment to 2,4,6-trichloroanisole and 2,4,6-tribromoanisole molecules

被引:25
作者
Asfandiarov, N. L. [1 ]
Muftakhov, M. V. [1 ]
Pshenichnyuk, S. A. [1 ]
Papp, P. [2 ]
Danko, M. [2 ]
Lacko, M. [2 ]
Blasko, J. [2 ]
Matejcik, S. [2 ]
Modelli, A. [3 ,4 ]
机构
[1] Inst Mol & Crystal Phys URC RAS, October Ave 151, Ufa 450075, Russia
[2] Comenius Univ, Fac Math Phys & Informat, Dept Expt Phys, Mlynska Dolina F2, Bratislava 84248, Slovakia
[3] Univ Bologna, Dipartimento Chim G Ciamician, Via Selmi 2, I-40126 Bologna, Italy
[4] Univ Bologna, Ctr Interdipartimentale Ric Sci Ambientali, Via S Alberto 163, I-48100 Ravenna, Italy
基金
欧盟地平线“2020”;
关键词
SOLID-PHASE MICROEXTRACTION; ION MOBILITY SPECTROMETRY; TEMPORARY ANION STATES; TRANSMISSION SPECTROSCOPY; DERIVATIVES; ENERGIES; WINE; VALIDATION; EXTRACTION; SCATTERING;
D O I
10.1063/1.5007816
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
2,4,6-trichloroanisole and 2,4,6-tribromoanisole were investigated by means of electron transmission spectroscopy and two different types of dissociative electron attachment spectrometers. The results obtained were interpreted with the support of density functional theory calculations. The dominant dissociative decay channels of the temporary molecular negative ions lead to the formation of Cl- and Br- in the low electron energy region. Formation of long-lived parent anions is observed at thermal electron energies. Their relative intensity depends on the experimental time window, similar to 36 mu s in the case of the static magnet mass analyzer and similar to 200 mu s for the quadrupole mass analyzer employed. The results obtained may be useful for rapid detection of these compounds in wine and pharmaceutical industries, as well as other branches connected to the food industry, e.g., packaging. Published by AIP Publishing.
引用
收藏
页数:7
相关论文
共 54 条
[11]   Are there π* shape resonances in electron scattering from phosphate groups? [J].
Burrow, Paul D. ;
Gallup, Gordon A. ;
Modelli, Alberto .
JOURNAL OF PHYSICAL CHEMISTRY A, 2008, 112 (17) :4106-4113
[12]   IDENTIFICATION OF 2,4,6-TRICHLOROANISOLE AS A POTENT COMPOUND CAUSING CORK TAINT IN WINE [J].
BUSER, HR ;
ZANIER, C ;
TANNER, H .
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 1982, 30 (02) :359-362
[13]   Direct sample introduction-gas chromatography-mass spectrometry for the determination of haloanisole compounds in cork stoppers [J].
Cacho, J. I. ;
Nicolas, J. ;
Vinas, P. ;
Campillo, N. ;
Hernandez-Cordoba, M. .
JOURNAL OF CHROMATOGRAPHY A, 2016, 1475 :74-79
[14]   THE RELATIONSHIP OF THE VIRTUAL ORBITALS OF SELF-CONSISTENT-FIELD THEORY TO TEMPORARY NEGATIVE-IONS IN ELECTRON-SCATTERING FROM MOLECULES [J].
CHEN, DH ;
GALLUP, GA .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (12) :8893-8901
[15]  
Dunning T.H., 1998, Basis Sets: Correlation Consistent Sets
[16]  
Encyclopedia of Computational Chemistry
[17]   AUTODETACHMENT OF ELECTRONS IN SULFUR HEXAFLUORIDE [J].
EDELSON, D ;
MCAFEE, KB ;
GRIFFITHS, JE .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (04) :917-&
[18]   Low-lying π* resonances associated with cyano groups: A CAP/SAC-CI study [J].
Ehara, Masahiro ;
Kanazawa, Yuki ;
Sommerfeld, Thomas .
CHEMICAL PHYSICS, 2017, 482 :169-177
[19]   Analysis of 2,4,6-trichloroanisole in wines using solid-phase microextraction coupled to gas chromatography mass spectrometry [J].
Evans, TJ ;
Butzke, CE ;
Ebeler, SE .
JOURNAL OF CHROMATOGRAPHY A, 1997, 786 (02) :293-298
[20]  
Frisch M. J., 2003, Gaussian 16