单晶衍射仪Apex II使用系列教程-1.pptVIP

Single Crystal Diffractometry using the Apex2 Software So, we’ve selected “New” on the sample tab, and this screen pops up. We pick a sensible name (a la compound, notebook number, user initials compound, blah, blah, blah….!). Then we punch OK and we’re off…. Here the name is the compound and file name we’ve already chosen, and cannot now be changed. What we put in the Compound area is optional but if we use it it’s a good place to record some short but pertinent information. Next, it’s important at this point to get the formula as close to the actual cell constants as possible – this can be very helpful at several key points in the structure analysis…part of our upcoming Apex2 tour. We’ll remind you/explain why it was important later. The color should certainly be entered, along with any useful observations under the other three tabs. We leave the crystal dimensions blank, as we’ll actually measure these later. Finally, the crystal shape: our standard xtal has been ground to a sphere. We often use prism, acicular (= needle-shaped), or plate, often accompanied by the word fragment if we cut the crystal, or it is obviously a broken piece. Moving down the steps on the left side, we choose Evaluate. The main screen contains, at the far right, two ways to proceed with the initial sample analysis. One can push the Run button, and the analysis will proceed through the five steps at the far right, starting with Collect Data. We’ve never done that, as we like to look carefully at each step (watch my act!) and see if all looks well. So, let’s punch Collect Data, and step through the process. No doubt your diffractometer has some default values here…which may or may not be the same. The detector distance most folks use is either 50 mm for a platform system or 60 mm for a Kappa system. There are many other possibilities, which, applied with intelligence, are perfectly appropriate. This has been a subject of debate on the Bruker Users Group email list, and you