DEPARTMENT OF CHEMISTRY - INSTRUMENTATION LINKS:

SPECTROSCOPY AND MOLECULAR MODELING


 
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
Departmental Equipment  X X X X X X
Data tables X X X X X X
Exercises
(in-house)
X X X X X X
Manufacturers  X X X X X  
Applications X X X X X X
Theory X X X X X X
  IR NMR GC GC/MS UV-Vis Molecular Modeling
Spectra X X X X X X
Software X X X X X X
Interpretation X X X X X X
Problems 
(on the web)
X X X X X X
Links pages X X X X X X

 
Departmental Equipment Operating Instructions
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Operating Instructions

Perkin Elmer System 2000

Perkin Elmer Spectrum BX II

NMR Operating Instructions

Varian EM 360A

Bruker Avance 400

GC Operating Instructions

Perkin-Elmer Sigma 2

Hewlett Packard 5890 Series II with autoinjector

GC/MS Operating Instructions

Shimadzu GCMS-QP5050A

UV-Vis Operating Instructions

Perkin Elmer Lambda 2S

Molecular Modeling Operating Instructions

Hyperchem

Student Users Guide
 
 
 
 
 
Data tables
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Data tables

Infrared spectroscopy data

IR data by functional group

Infrared Absorption Frequencies

NMR Data tables

NMR chemical shift tables:


GC Data tables

Flavornet: retention indices of aroma compounds

GC/MS Data tables
 
 

UV-Vis Data tables
 
 

Molecular Modeling Data tables
 
 
 
 
 
Exercises 

(in-house)

IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Exercises (in-house)

IR Exercises

NMR Exercises (in-house)

1H and 13C spectra of C5H11Br

GC Exercises (in-house)
 
 

GC/MS Exercises (in-house)
 
 

UV-Vis Exercises (in-house)
 
 

Molecular Modeling Exercises (in-house)
 
 
 
Manufacturers
IR
NMR
GC
GC/MS
UV-Vis
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IR Manufacturers

Bruker

Galactic (software)

JASCO

Mattson

Perkin-Elmer

Shimadzu

Spectra-Tech

Pike Technologies

NMR Manufacturers

Bruker

JEOL

Varian

MR Resources

GC Manufacturers

Gow-Mac

Supelco (columns)

GC/MS Manufacturers

Thermoquest (Finnigan)

Agilent (Hewlett-Packard)

Perkin Elmer

Shimadzu

Varian

Galactic (software)

UV-Vis Manufacturers

Shimadzu
 
 
 
 
Software
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Software

ACD SpecViewer

NMR Software

ACD SpecViewer

Compilation of Educational NMR Software

Acorn - NUTS

GC Software
 
 

GC/MS Software

ACD SpecViewer
 

UV-Vis Software

ACD SpecViewer
 

Molecular Modeling Software

Hypercube, Inc.

Chemscape Chime

CambridgeSoft

RasMol and Protein Explorer
 
 
 
Applications
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Applications

Infrared Analysis of Lubricants

Surface Science

Medical Infrared Spectroscopy

NMR Applications

Spectrum Laboratories

WWW NMR Spectrometer

Shenandoah Valley Regional NMR Facility

GC Applications

On-Line Analytics

Flavornet

Analysis of chiral compounds

Separation of pharmaceuticals

GC/MS Applications
 
 

UV-Vis Applications
 
 

Molecular Modeling Applications
 
 
 
 
 
Theory
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Theory

Infrared Resonance Spectrophotometry

Introductory University Chemistry I: Matter and Energy: Spectroscopy

Organic Chemistry OnLine

NMR Theory

Organic Chemistry OnLine
 

GC Theory

Chemical separations course

Retention Indices

GC/MS Theory

What is Mass Spec?

Mass Spectroscopy for Chromatographers

Organic Chemistry OnLine
 

UV-Vis Theory
 
 

Molecular Modeling Theory

Computational Chemistry and Organic Synthesis

Molecular Modelling - An Introduction

Molecular Mechanics

NIH Guide to Molecular Modeling
 
 
Spectra
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling Back to the top

IR Spectra

Spectra Online!

NIST Chemistry WebBook

SDBS

NMR Spectra

Spectra Online!

SBDS

FID Archive
 

GC Spectra
 
 

GC/MS Spectra

Spectra Online!

NIST Chemistry WebBook

SBDS

UV-Vis Spectra

Spectra Online!

NIST Chemistry WebBook

Molecular Modeling  Structures

WWU Virtual Molecular Model Kit
 
Interpretation
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Interpretation

Infrared Absorption Frequencies

Quick Infrared Analysis

Spectroscopic Tools

NMR Interpretation

Spectroscopic Tools

GC Interpretation
 
 

GC/MS Interpretation

Spectroscopic Tools
 
 

UV-Vis Interpretation
 
 

Molecular Modeling Interpretation
 
 
 
Problems 

(on the web)

IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Problems (on the web)

Display of spectra using JCAMP-DX

Spectroscopy Practice Problems

WebSpectra

Organic Structure Elucidation

Infrared Absorption Frequencies

Organic Chemistry OnLine
 

NMR Problems (on the web)

Display of spectra using JCAMP-DX

Spectroscopy Practice Problems

WebSpectra

Organic Structure Elucidation

Organic Chemistry OnLine
 

GC Problems (on the web)
 
 

GC/MS Problems (on the web)

Organic Structure Elucidation

Organic Chemistry OnLine
 

UV-Vis Problems (on the web)

Display of spectra using JCAMP-DX

Molecular Modeling Problems (on the web)
 
 
 
Links pages
IR
NMR
GC
GC/MS
UV-Vis
Molecular Modeling
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IR Links pages
 

Infrared Absorption Spectroscopy

Internet sites dealing with IR and near-IR spectroscopy and related topics

NMR Links pages

Nuclear Magnetic Resonance Spectoscopy

International NMR Resource Site

GC Links pages

Gas Chromatography

GC/MS Links pages

Ionization Mass Spectrometry

Mass Spectrometry

UV-Vis Links pages
 
 

Molecular Modeling Links pages

Computational Chemistry Links

Computational Chemistry Archives

Theoretical Chemistry Links

WWW Computational Chemistry Resources
 
 
 

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