A new topological index for molecular probes used in inverse gas chromatography .2. Application for the evaluation of the solid surface specific interaction potential

被引:65
作者
Brendle, E [1 ]
Papirer, E [1 ]
机构
[1] INST CHIM SURFACES & INTERFACES,CNRS,F-68057 MULHOUSE,FRANCE
关键词
inverse gas chromatography; topological index; silica; graphite; specific interaction;
D O I
10.1006/jcis.1997.5105
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
The application of the new morphological index chi(T), which is an extension of Wiener's index for the evaluation of the retention data of apolar and polar solutes used in inverse gas chromatography, is described. Indeed, chi(T) performs satisfactorily, surpassing the other molecular descriptors employed so far. Examples of applications on silica and graphite samples are presented. It appears that the new index allows a unique evaluation of the Lewis acid-base surface characteristics of solid surfaces. (C) 1997 Academic Press.
引用
收藏
页码:217 / 224
页数:8
相关论文
共 20 条
[1]  
[Anonymous], 1983, STUD PHYS THEOR CHEM
[2]  
Balaban A., 1986, MATCH Commun. Math. Comput. Chem, V21, P115
[3]   A new topological index for molecular probes used in inverse gas chromatography for the surface nanorugosity evaluation .1. Method of evaluation [J].
Brendle, E ;
Papirer, E .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1997, 194 (01) :207-216
[5]  
DONG S, 1989, CHROMATOGRAPHIA, V28, P85
[6]   EVALUATION OF SPECIFIC INTERACTIONS OF SOLID-SURFACES BY INVERSE GAS-CHROMATOGRAPHY - A NEW APPROACH BASED ON POLARIZABILITY OF THE PROBES [J].
DONNET, JB ;
PARK, SJ ;
BALARD, H .
CHROMATOGRAPHIA, 1991, 31 (9-10) :434-440
[7]  
Gutmann V., 1978, DONOR ACCEPTOR APPRO
[8]   MOLECULAR CONNECTIVITY .2. RELATIONSHIP TO WATER SOLUBILITY AND BOILING-POINT [J].
HALL, LH ;
KIER, LB ;
MURRAY, WJ .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1975, 64 (12) :1974-1977
[9]   MOLECULAR CONNECTIVITY .1. RELATIONSHIP TO NONSPECIFIC LOCAL ANESTHESIA [J].
KIER, LB ;
HALL, LH ;
MURRAY, WJ ;
RANDIC, M .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1975, 64 (12) :1971-1974
[10]   MOLECULAR CONNECTIVITY .7. SPECIFIC TREATMENT OF HETEROATOMS [J].
KIER, LB ;
HALL, LH .
JOURNAL OF PHARMACEUTICAL SCIENCES, 1976, 65 (12) :1806-1809