THE USE OF IMAGING PLATES IN ELECTRON-DENSITY MAPPING WITH SYNCHROTRON X-RAYS

被引:18
作者
BOLOTOVSKY, R
DAROVSKY, A
KEZERASHVILI, V
COPPENS, P
机构
关键词
IMAGING PLATES; SEED SKEWNESS METHOD; ELECTRON DENSITY;
D O I
10.1107/S0909049595006170
中图分类号
TH7 [仪器、仪表];
学科分类号
0804 ; 080401 ; 081102 ;
摘要
Imaging-plate synchrotron data have been applied in the charge-density analyses of sodium nitroprusside and hexaamminechromium(III) hexacyanochromate(III), collected at 100 and 50 K, respectively, and photons of wavelengths 0.656 and 0.394 Angstrom at the SUNY X3 beamline at NSLS. The electron-density maps show good agreement between chemically equivalent sections, while the multipole aspherical atom refinements lead to chemically reasonable population parameters, with trends reproduced in the available theoretical calculations. The results indicate that the time required for charge-density mapping with diffraction data can be greatly reduced by the application of the new technology.
引用
收藏
页码:181 / 184
页数:4
相关论文
共 15 条
[1]   THE SEED-SKEWNESS METHOD FOR INTEGRATION OF PEAKS ON IMAGING PLATES [J].
BOLOTOVSKY, R ;
WHITE, MA ;
DAROVSKY, A ;
COPPENS, P .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1995, 28 (pt 2) :86-95
[2]  
BRAGA M, 1981, PHYS REV B, V223, P4328
[3]  
COPPENS P, 1989, ACS SYM SER, V394, P39
[4]   AN ANTISCATTER DEVICE FOR LOW-TEMPERATURE CRYSTALLOGRAPHIC EXPERIMENTS WITH IMAGING PLATES [J].
DAROVSKY, A ;
BOLOTOVSKY, R ;
COPPENS, P .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1994, 27 :1039-1040
[5]   A MULTIWAVELENGTH MONOCHROMATOR FOR THE X3A1 FIXED-ANGLE STATION AT THE NATIONAL SYNCHROTRON LIGHT-SOURCE [J].
DAROVSKY, A ;
MESHKOVSKY, I ;
COPPENS, P .
JOURNAL OF SYNCHROTRON RADIATION, 1995, 2 :77-78
[6]   CLOSED-CYCLE HELIUM CRYOSTAT MOUNT FOR THE HUBER 511.1 DIFFRACTOMETER CIRCLE [J].
GRAAFSMA, H ;
SAGERMAN, G ;
COPPENS, P .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1991, 24 :961-962
[7]   REFINEMENT OF HEXAMETHYLENETETRAMINE BASED ON DIFFRACTOMETER AND IMAGING-PLATE DATA [J].
GROCHOWSKI, J ;
SERDA, P ;
WILSON, KS ;
DAUTER, Z .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1994, 27 :722-726
[8]   ELECTRON POPULATION ANALYSIS OF ACCURATE DIFFRACTION DATA .6. TESTING ASPHERICAL ATOM REFINEMENTS ON SMALL-MOLECULE DATA SETS [J].
HANSEN, NK ;
COPPENS, P .
ACTA CRYSTALLOGRAPHICA SECTION A, 1978, 34 (NOV) :909-921
[9]   GENERALIZED RELATIONS BETWEEN D-ORBITAL OCCUPANCIES OF TRANSITION-METAL ATOMS AND ELECTRON-DENSITY MULTIPOLE POPULATION PARAMETERS FROM X-RAY-DIFFRACTION DATA [J].
HOLLADAY, A ;
LEUNG, P ;
COPPENS, P .
ACTA CRYSTALLOGRAPHICA SECTION A, 1983, 39 (MAY) :377-387
[10]  
IVERSEN B, 1995, UNPUB