Dyeing polymorphs: The MALDI host 2,5-dihydroxybenzoic acid

被引:31
作者
Cohen, Dawn E. [1 ]
Benedict, Jason B. [1 ]
Morlan, Brian [1 ]
Chiu, Daniel T. [1 ]
Kahr, Bart [1 ]
机构
[1] Univ Washington, Dept Chem, Seattle, WA 98195 USA
关键词
D O I
10.1021/cg060887w
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The dye methyl red was used to distinguish concomitant polymorphs of the matrix-assisted laser desorption ionization mass spectrometry (MALDI-MS) host, 2,5-dihydroxybenzoic acid. Red and purple crystals were readily separated by inspection. They corresponded to the known Form I (P2(1)/c, a = 4.9110(3) angstrom, b = 11.8280(7) angstrom, c = 11.0580(6) angstrom, beta = 91.059(3)degrees, V = 642.22 angstrom(3)) and Form II (P2(1)/c, a = 5.5610(2) angstrom, b = 4.8690(1) angstrom, c = 23.6880 (8) angstrom, beta = 100.191(1)degrees, V = 631.27 angstrom(3)), respectively. X-ray structures of cocrystals of dihydroxybenzoic acids and methyl red, measurements of the linear dichroism of mixed crystals, and force-field calculations were used to investigate the mechanism of differential coloring. The relevance of the observations to investigations of the MALDI mechanism are discussed.
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页码:492 / 495
页数:4
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