Influence of the structures of hydrogen-bonded dimeric molecules on their adsorption at graphitized thermal carbon

被引:2
作者
Kuznetsova, E. S. [1 ]
Ul'yanov, A. V. [1 ]
Buryak, A. K. [1 ]
机构
[1] Russian Acad Sci, Frumkin Inst Phys Chem & Electrochem, Moscow 119991, Russia
基金
中国国家自然科学基金;
关键词
AB-INITIO; ACID;
D O I
10.1134/S207020510904008X
中图分类号
TF [冶金工业];
学科分类号
0806 ;
摘要
This study is devoted to the influence of the structures of hydrogen-bonded dimeric molecules on their adsorption at graphitized thermal carbon (GTC). The thermodynamic adsorption characteristics (TACs) of amino acid dimers and dimers of amino acids with acetic acid and formamide at GTC were determined. The results obtained for the adsorption of dimeric molecules at the carbon sorbent were compared with the calculated data for the molecules of the corresponding amino acids at GTC. The geometric parameters of dimeric molecules were varied to analyze the influence of the hydrogen bond lengths on the TACs of the compounds under study.
引用
收藏
页码:425 / 430
页数:6
相关论文
共 13 条
[1]   Calculation of the potential energy surface for intermolecular amide hydrogen bonds using semiempirical and ab initio methods [J].
Adalsteinsson, H ;
Maulitz, AH ;
Bruice, TC .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1996, 118 (33) :7689-7693
[2]  
AVGUL NN, 1975, ADSORBTSIYA GASOV PA
[3]  
Buryak AK, 2002, USP KHIM+, V71, P788
[4]   Acetic acid dimer in the gas phase, nonpolar solvent, microhydrated environment, and dilute and concentrated acetic acid:: Ab initio quantum chemical and molecular dynamics simulations [J].
Chocholousová, J ;
Vacek, J ;
Hobza, P .
JOURNAL OF PHYSICAL CHEMISTRY A, 2003, 107 (17) :3086-3092
[5]   Stacked structure of the glycine dimer is more stable than the cyclic planar geometry with two O-H•••O hydrogen bonds:: Concerted action of empirical, high-level nonempirical ab initio, and experimental studies [J].
Chocholousová, J ;
Vacek, J ;
Huisken, F ;
Werhahn, O ;
Hobza, P .
JOURNAL OF PHYSICAL CHEMISTRY A, 2002, 106 (47) :11540-11549
[6]   The possible covalent nature of N-H•••O hydrogen bonds in formamide dimer and related systems:: An ab initio study [J].
Grabowski, SJ ;
Sokalski, WA ;
Leszczynski, J .
JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (14) :4772-4779
[7]  
GURSKAYA GV, 1966, STRUKTURA AMINOKISLO, P158
[8]  
Ioffe BV, 1974, REFRACTOMETRIC METHO, V2nd, P400
[9]  
Kiselev A.V., 1986, Molecular Fundamentals for Adsorption Chromatography
[10]  
Kuznetsova E. S., 2008, ZASHCH MET, V44, P260