These pages are a copy of those made by Prof. Robert J. Lancashire (The Department of Chemistry, University of the West Indies, Mona Campus, Kingston 7, Jamaica) and hosted at http://wwwchem.uwimona.edu.jm/spectra/jsmol/demos/
The copy was made on August 2025, with intent of preservation to demonstrate and document the procedure to include the spectrum visualizer JSpecView and its interaction with 3D molecular structure display.in JSmol.
Page code was adapted to use current version 16.3 of JSmol+SpecView rather than the original version at the UWI server.
You may visit the Jmol Wiki for details on implementing JSpecViewer in web pages like these. There is also a descriptive specification (pdf) of the extension of the JCAMP-DX format that allows one JDX file to contain both Jmol-readable 3D models and peak information.
| Link to demo page | JSpecView | JSmol | JSME | Description |
|---|---|---|---|---|
| (all will open in new window) | ||||
| BX3.html | ✅ | ✅ | B(III) species : Interpreted IR and Raman spectra for interactive Jmol/JSpecView display | |
| C2Cl4.html | ✅ | ✅ | tetrachloroethene C2Cl4 : Iinterpreted IR and Raman spectra for interactive Jmol/JSpecView display | |
| C6_species.html | ✅ | ✅ | C2 species : IR spectra and vibrational mode animations | |
| C6_species0.html | ✅ | ✅ | C2 species : IR spectra and vibrational mode animations | |
| ClMeth.html | ✅ | ✅ | Chloromethanes CH4, CH3Cl, CH2Cl2, CHCl3, CCl4 : IR and Raman spectra and vibrational mode animations | |
| ClMethanes.html | ✅ | ✅ | Chloromethanes CH2Cl2, CHCl3, liquid CH2Cl2 & CD2Cl3, CHCl3, CDCl3 : IR and Raman spectra and vibrational mode animations | |
| ClMethanes0.html | ✅ | ✅ | Chloromethanes CH2Cl2, CD2Cl3, CHCl3, CDCl3 : IR and Raman spectra and vibrational mode animations | |
| Claniline.html | ✅ | ✅ | Chloro-anilines : IR and 13CNMR spectra and vibrational mode animations | |
| Clbenzaldehyde.html | ✅ | ✅ | 2-chlorobenzaldehyde : IR, HNMR and CNMR spectra and vibrational mode animations | |
| Crtest.html | ✅ | ✅ | Cr(III) complexes : UV/Visible spectra for several complexes; additionally, the colour of a solution of each is predicted | |
| DCE.html DCE0.html DCE0a.html DCE0b.html DCE1.html DCE_Sim.html DCE_Sim1.html DCE_Sim2.html DCE_old.html |
✅ | ✅ | dichloroethylene isomers : Infrared and Raman spectra | |
| EA.html | ✅ | ✅ | Ethanolamine : IR and Raman spectra | |
| Etbenzoate.html | ✅ | ✅ | Ethylbenzoate : IR, HNMR and CNMR spectra and vibrational mode animations | |
| Expt12.html | ✅ | ✅ | 4-hydroxybenzoic acid and 4-acetoxybenzoic acid | |
| H3C2F3.html | ✅ | ✅ | 1,1,1- and 1,1,2-trifluoroethane : IR and Raman spectra and vibrational mode animations | |
| IRmodes.html | ✅ | Infrared Spectroscopy and Modes of Vibrations | ||
| N2F2-orig.html N2F2.html N2F2R.html N2F2R1.html N2F2R2.html N2F2T.html N2F2a.html |
✅ | ✅ | Dinitrogen difluoride : IR and Raman spectra and vibrational mode animations | |
| NH3BH3.html | ✅ | ✅ | Ammonia borane : IR and Raman spectra and vibrational mode animations | |
| NMR_HCpredict.html | ✅ | ✅ | ✅ | JSpecView + JSME + nmrdb + NIH-Resolver demo |
| NMR_demo.html | ✅ | ✅ | Aspirin and acetophenone : IR spectra and vibrational mode animations | |
| P(CN)3_Sim.html | ✅ | ✅ | P(CN)3 : IR and Raman spectra and vibrational mode animations | |
| acetophenone.html acetophenone1a.html acetophenone2.html |
✅ | ✅ | Acetophenone : IR, HNMR, CNMR and mass spectra and vibrational mode animations | |
| aniline_acetanilide.html | ✅ | ✅ | The synthesis of acetanilide from aniline can be monitored by IR. | |
| aspirin.html | ✅ | ✅ | Aspirin : HNMR and CNMR spectra and vibrational mode animations | |
| cholac.html | ✅ | ✅ | cholesteryl acetate : IR spectrum and vibrational mode animations | |
| cinnamaldehyde.html | ✅ | ✅ | Cinnamaldehyde : HNMR and CNMR spectra and vibrational mode animations | |
| coffeeGC.html | ✅ | ✅ | Components of coffee : Gas chromatography trace | |
| coffeeGCMS.html | ✅ | ✅ | Components of coffee : Gas chromatography trace and MS spectra | |
| dce-2.html | ✅ | ✅ | 1,2-dichloroethylene : IR and Raman spectra and vibrational mode animations | |
| dodecaneMS.html | ✅ | ✅ | Dodecane : MS spectrum | |
| nutmegGCMS.html | ✅ | ✅ | Components of nutmeg : Gas chromatography trace and MS spectra | |
| pimberryGCMS.html pimentoGCMS.html |
✅ | ✅ | Components of pimento (allspice) : Gas chromatography trace and MS spectra | |
| preg-cosy.html | ✅ | COSY NMR spectrum | ||
| pyrazine.html | ✅ | ✅ | Pyrazine : IR and Raman spectra and vibrational mode animations | |
| synfuelGCMS.html | ✅ | ✅ | Synthetic fuel :Gas chromatography trace and MS spectra | |
| t-butylOH.html | ✅ | ✅ | The synthesis of t-butyl chloride from t-butyl alcohol monitored by IR | |
| test1jsv_mol.html | ✅ | ✅ | Hexane and cyclohexane derivatives : IR spectra and vibrational mode animations | |
| test_Drexel.html testjsv.html |
✅ | 1-vinylpyrrolidin-2-one and hexanol (?) : HNMR and 2D NMR | ||
| vinylpyrrolidinone.html | ✅ | ✅ | 1-vinylpyrrolidin-2-one : IR, HNMR, CNMR and mass spectra and vibrational mode animations | |
| CrVis.html | ✅ | Several Cr(III) complexes : VIS spectra and prediction of the colour in solution | ||
| Crexpt_TS.html | ✅ | ✅ | Several Cr(III) complexes : structure, exploration of peak energies in VIS spectra; estimation of Δ/B' and Magnetic Moment | |