Soutions to Exercises to accompany Organic Chemistry, 2nd edition by Thomas Sorrell. Theis manual includes solutions for every exercise in the text. The Department of Chemistry at MIT is one of the nation's top chemistry departments. It has an illustrious history in sharing the MIT tradition of excellence, and it has provided national leadership in chemical education and research throughout the century. ChemDoodle is such a fantastic chemical drawing software package. Easy to use and PACKED with features it is such a bargain compared to the alternatives. The interface is intuitive and the User Guide is easy to read (I especially enjoy it being a searchable pdf). I've recommended this software to colleagues and will continue to do so. The Department of Chemistry at MIT is one of the nation's top chemistry departments. It has an illustrious history in sharing the MIT tradition of excellence, and it has provided national leadership in chemical education and research throughout the century.
This page gives instructions on how to download the software you will need for organic chemistry labs. All of them are either free for everyone to use, or free for students at CU because we have a site license.
This site contains brief descriptions of free chemistry software available on the web (see list on the left). This is ‘free’ as in ‘free beer’- no charge to you. Some of it is also ‘free’ as in ‘free speech’- open source programs in which you can view and modify the source code.
VPN
VPN (Virtual Private Network) software allows you to connect to the internet via the campus servers. Many of CU's resources require you to either be on-campus, or use VPN to access them. Instructions for downloading the recommended VPN program (currently Cisco AnyConnect) are given on the OIT website.
The CU Boulder Libraries have recently made a change to off-campus access for the American Chemical Society (ACS) publications. ACS publications will no longer be accessible using the campus VPN. Instead, users will need to log-in to the Library’s EZProxy. You can also lookup particular journal titles that are available electronically by going to the Libraries homepage and then clicking on the link to E-Journals (underneath that big box that says Find Articles) and search for the journal you need. If you are off-campus you will be asked for your identikey username and password. For more information, including a link to a browser extension that makes it easier for you to access Library resources off-campus, click here.
ChemDraw and Other Chemical Drawing Programs
ChemDraw is installed on all the computers in the organic chemistry labs and helproom; feel free to use it at any time that the labs are open. ChemDraw is also installed in a large number of computer labs around campus. To find a computer lab that has ChemDraw, you can use the OIT Lab Software Search Page.
CU Boulder has purchased a site license for the current version of ChemDraw, so it is free to all students. To download and install a copy of this program on your own Mac or PC, go to the OIT ChemDraw page. You can download the program for Mac or PC, plus the activation code; make sure you download the newest version (ChemDraw 18). (There is also an in-depth User Guide available on the OIT page.)
There are also several free alternatives to ChemDraw available, such as MarvinSketch and ChemDoodle. These programs are also perfectly acceptable to use for preparing your lab reports, but the organic lab staff might not have much experience using these programs and will not necessarily be able to help you.
Excel and Other Spreadsheet Programs
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Excel is part of Microsoft Office Suite, which is available on the computers in the chemistry labs and help room, as well as most of the computers in the computer labs on campus. To find a computer lab that has Excel, you can use the OIT Lab Software Search Page. CU also allows students to download and use Office 365 ProPlus for free. Icrosoft word. Instructions on how to do so are located on the OIT website.
There are also several free alternatives to Excel available, such as Google Spreadsheets and LibreOffice Calc. These programs are also perfectly acceptable to use for preparing your lab reports, but the organic lab staff might not have much experience using these programs and will not necessarily be able to help you.
MestreNova
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MestreNova (or MNova) is installed on all the computers in the organic chemistry labs and helproom; feel free to use it at any time that the labs are open. CU Boulder has purchased a site license for MestreNova, so you may download and install a copy of this program on your own Mac, PC, or Linux machine. Note that you must be able to connect to the campus servers to download the license file, and also to activate it. If you're on-campus, you must connect to the internet via UCB Wireless, not UCB Guest. If you're not on campus, you will need to use VPN as described above.
First, if you have an older version of MestreNova installed, uninstall it.
To download the software, go to the OIT MestreNova page and save the installation package on your computer, along with the license zip file.
Run the MestreNova installer. When you are asked what modules you want to install, uncheck the entire 'MestreNova Plugins' list (every plugin should have a red X next to it), but then select 'NMR Plugin'. This is the only plugin for which we have a license. Your list should look like this:
If you try to install modules for which we don't have a license, you might have to uninstall and then reinstall correctly. Mac Users: You will need to click on 'MestReNova' in the top left corner of the screen (near the apple) and then click 'Preferences' from the drop-down list. From the 'Preferences' pop-up box you can click 'Plug-ins' from the icons at the top of the box and 'ignore' everything except the 'NMR' option.
When you run MestreNova for the first time, you should see the 'Registration Wizard'. (If you don't, select 'Get/Install Licenses..' under the [Help] pulldown.) Click on [Install], and navigate to wherever you saved the license file. Select that license file (if it asks if you want to replace your previous license file, choose 'Yes'). You should see a confirmation message indicating that the license file was installed correctly. Click [OK]. After you have installed all licenses, you will need to restart MNova. Look in the bottom right corner of the window (or check the License Manager under [Help]), and you should see a green checkmark:
If you see the green checkmark, MNova should be ready to use. Mac Users: If the 'Registration Wizard' window pops up again and again each time you restart MestreNova, it's because you selected the wrong modules to install. Uninstall the program and start over.
If the program was unable to contact the license server, there will be a red X in the bottom right corner and you will see a popup about being unable to contact the server. In this case, first make sure you have followed all the instructions above (especially the part about being connected to UCB Wireless, not UCB Guest!) If you still can't contact the license server, please email the lab director so the license server can be rebooted. If you get an error message indicating that some features were not activated, it's because you didn't uncheck all the unlicensed modules. You should simply check the two boxes ('I've read the above information', and 'Don't show this message again'), and you will not get this error again.
Now that your copy of MestreNova is activated, it will run for up to 90 days without needing to communicate with the license server again. Every time you use the software when you are connected to the campus network, it will automatically update your license extending your time for another 90 days. Therefore, you can use the software offline, away from the campus network for up to 90 days. After this time, however, you will either need to connect by VPN again, or bring your computer onto campus.
What If You Don't Get Your Spectra?
There are several reasons why you might not receive your spectra, or might not be able to open them. This troubleshooting guide should help you fix any issues.
- If you haven’t received an email with your spectrum: You might have input your email incorrectly, or the NMR server might have been unable to send emails for a while. Check the NMR server to see if your spectrum is there by following all these steps:
- Make sure you're either on-campus using UCB Wireless (not UCB Guest) or on VPN.
- Go to the NMR fileserver page. Your browser might complain about the website's security certificate, but you should be able to select 'Continue to website' or something similar. Depending on your browser, this may be listed under advanced options.
- Sign in using the username 'student' and the password '$NMR300' (not your IdentiKey - this won't work).
- Double-click the NMR Data folder. Once it opens, you should see a window with a menu tree in the left pane and some files in the main pane. If not, you might need to click the 'fullscreen' button in the upper right of the window (it looks like a small grey box).
- Go to OChem_Lab → nmr. Then click 'Filter' in the upper right and type in part of your filename. Folders are named as 'Semester_SectionNumber_Initials_SampleName'. So if it's Spring 2019, you're in section 201, your initials are XYZ, and you named your sample 'Acetylferrocene', then your folder will be named 2019S_201_XYZ_Acetylferrocene).
- Select your folder but don't open it. Instead, go to Action → Download. The folder should download as a zip file. You can now work up the spectrum in MestreNova, assuming it contains a FID file; if not, see below for more help.
- If you haven’t received an email and your folder is not on the server: It hasn't been run in the NMR machine yet. Check to see if any of your classmates have spectra available for this lab yet - if most of them are done, it's possible your sample was skipped for some reason. In this case, visit the NMR room at any time that labs are running so you can resubmit it to the queue.
- If you have your folder but there's no FID file inside it: This happens when the tube is successfully inserted into the machine, but the spectrum never gets collected. Often this is because something is wrong with the sample preparation (label is badly wrapped, too much solid precipitate in tube, solvent too low, or non-deuterated solvent). In this case you will have to visit the NMR room at any time that labs are running so you can fix whatever needs fixing and resubmit it to the queue.
- If you have your folder and there's a FID file inside it, but MestreNova won't open it: First, check the bottom right corner of MestreNova. If there's a red circle, something went wrong with your installation so you'll have to try again. If there's a green circle, your license is set up properly. There are two options for opening spectra: either open the entire zipped folder, or unzip the folder and then open the FID file. To unzip a folder in Windows, right-click and select Extract All.
SciFinder
SciFinder is the most powerful literature-search tool available for chemists, and will allow you to find any compounds with the same or a similar structure to your compound. Before you can use SciFinder, you will need to request an account. Go to the CU library's website and follow the directions there. Once your account has been created, you can log in by going to SciFinder's home page. You must be on campus or using VPN.
Avogadro and GAMESS
Avogadro and GAMESS are free software used for computational chemistry. Avogadro is available for Windows, Mac and Linux; it can be downloaded from the Avogadro website. GAMESS can be downloaded from this website (only accessible from on-campus or via VPN). Once you have installed GAMESS, go to the folder where it is installed and open the README file.
Are you a chemistry student? Do you needto draw chemical structures for lab reports or your research?Look up solubility or vapor pressureinformation?Calculate molecular geometries?But you don’t havethe money for a $500 license for ‘professional’ software?
This site contains brief descriptionsof free chemistry software available on the web (see list on the left).This is ‘free’ as in ‘free beer’- no chargeto you.Some of it is also ‘free’ as in‘free speech’- open source programs in which you can view and modify the sourcecode.This software ranges from thehighly professional to the somewhat amateurish, but we won’t recommend aprogram which does not serve a useful purpose.(Although, for legal purposes, we need to point out that these programsare not guaranteed to be error-proof, and we can’t be responsible for anyresults you obtain with them.) This site does not cover question-and-answer 'instructional' software, or programs for specialized research purposes.
Where doesthe software come from?and why is itfree?Some of these programs arenot-for-profit open-source projects, usually a labor of love by one or moreprogrammers who are giving away their work.Others are products of government grants or projects, now freelyavailable to the public.Still othersare commercial software which the owners have decided to give away as part oftheir business plan (“If you like the free version, you’ll love theprofessional version…”)
And who are“we” running this site?At the moment-one chemistry professor who would like to see more students equipped with useful,high quality software. Chemists andother scientists with a similar interest are invited to contribute comments,software reviews and other suggestions by contacting me ([email protected]).Eventually, I hope to see this site expand intoa collaborative effort of contributors with a variety of backgrounds andexpertise. Another chemistry freeware site (with a wider variety of software) can befound on ScienceGeek.net.
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Last updated July 18, 2011