Online citations, reference lists, and bibliographies.

Interpretation Of Infrared Spectra, A Practical Approach

J. Coates
Published 2006 · Mathematics
Cite This
Download PDF
Analyze on Scholarcy
Share
The vibrational spectrum of a molecule is considered to be a unique physical property and is characteristic of the molecule. As such, the infrared spectrum can be used as a fingerprint for identification by the comparison of the spectrum from an “unknown” with previously recorded reference spectra. This is the basis of computer-based spectral searching. In the absence of a suitable reference database, it is possible to effect a basic interpretation of the spectrum from first principles, leading to characterization, and possibly even identification of an unknown sample. This first principles approach is based on the fact that structural features of the molecule, whether they are the backbone of the molecule or the functional groups attached to the molecule, produce characteristic and reproducible absorptions in the spectrum. This information can indicate whether there is backbone to the structure and, if so, whether the backbone consists of linear or branched chains. Next it is possible to determine if there is unsaturation and/or aromatic rings in the structure. Finally, it is possible to deduce whether specific functional groups are present. If detected, one is also able to determine local orientation of the group and its local environment and/or location in the structure. The origins of the sample, its prehistory, and the manner in which the sample is handled all have impact on the final result. Basic rules of interpretation exist and, if followed, a simple, first-pass interpretation leading to material characterization is possible. This article addresses these issues in a simple, logical fashion. Practical examples are included to help guide the reader through the basic concepts of infrared spectral interpretation.
This paper references
Published Reference Sources’, Appl
J. P. Coates (1996)
Leugers, Handbook of Infrared and Raman Spectra of Inorganic Compounds and Organic Salts
R. A. Nyquist (1997)
Once More into the Unknown
J. P. Coates (1996)
Vibrating molecules : an introduction to the interpretati[on] of infrared and Raman spectra
Peter Gans (1975)
10.1039/9781849730662
Industrial analysis with vibrational spectroscopy
N. Barnett (1997)
10.1016/0022-2860(81)85280-5
Infrared characteristic group frequencies
G. Socrates (1980)
10.5860/choice.36-5697
Infrared Spectral Interpretation: A Systematic Approach
B. Smith (1999)
The Interpretation of Infrared Spectra : Published Reference Sources ’
J. P. Coates (1996)
10.1002/0470027320.s4104
Infrared and Raman Spectra of Inorganic and Coordination Compounds
Kazuo Nakamoto (1978)
Interpretation of Vibrational Spectra of Liquid Water
N. A. Chumaevskii (2002)
10.5860/choice.37-4509
Spectroscopy of Polymers
J. Koenig (1992)
Applied Spectroscopy: A Compact Reference for Practitioners
J. Workman (1998)
Infrared and Raman Characteristic Frequencies of Organic Molecules
D. Lin-Vien (1991)
10.1016/0022-2860(72)80037-1
Advances in Infrared Group Frequencies.
L. J. Bellamy (1968)
Infrared Spectra of Complex Molecules
L. J. Bellamy (1975)
Into the Unknown: the First in the Series’, Spectroscopy
J. P. Coates (1996)
Squirrel, Identification and Analysis of Plastics
J. Haslam (1979)
Atlas of polymer and plastics analysis
D. Hummel (1978)
Wiberley, Introduction to Infrared and Raman Spectroscopy
N. B. Colthrup (1990)
10.1007/BF02641039
Infrared band handbook
R. T. O’connor (1966)
Questions and Answers: What to Do When the Sample Arrives
J. P. Coates (1996)



This paper is referenced by
10.1002/CRAT.200900012
Synthesis of L‐valine crystals
E. Ramachandran (2009)
10.1016/j.bios.2015.10.068
An ultrasensitive human cardiac troponin T graphene screen-printed electrode based on electropolymerized-molecularly imprinted conducting polymer.
Bárbara V. M. Silva (2016)
10.1007/s40899-016-0045-8
Enhanced removal of dissolved aniline from water under combined system of nano zero-valent iron and Pseudomonas putida
Raj Shekhar Bose (2016)
10.1016/J.APT.2016.02.019
A novel modification and selective route for the adsorption of Pb2+ by oak charcoal functionalized with glutaraldehyde
Hussein Hamad (2016)
10.1039/C5RA24604K
Towards the development of eco-friendly disposable polymers: ZnO-initiated thermal and hydrolytic degradation in poly(L-lactide)/ZnO nanocomposites
Erlantz Lizundia (2016)
10.1016/J.JECE.2016.02.022
Removal of volatile organic compounds over bagasse ash derived activated carbons and monoliths
Anjali Bajwa (2016)
10.1007/s41101-016-0008-9
Optimization of Adsorption Parameters for Removal of Carbaryl Insecticide Using Neem Bark Dust by Response Surface Methodology
Soumya Chattoraj (2016)
10.1038/srep38571
Plant-derived cis-β-ocimene as a precursor for biocompatible, transparent, thermally-stable dielectric and encapsulating layers for organic electronics
Kateryna Bazaka (2016)
10.1016/J.FOODHYD.2017.03.037
Preparation and evaluation of hemicellulose films and their blends
Francisco Rogênio da Silva Mendes (2017)
10.1016/J.PORGCOAT.2014.10.004
UV-polymerisable, phosphorus-containing, flame-retardant surface coatings for glass fibre-reinforced epoxy composites
Piyanuch Luangtriratana (2015)
10.1016/J.MEMSCI.2014.06.008
Surface initiated polydopamine grafted poly([2-(methacryoyloxy)ethyl]trimethylammonium chloride) coatings to produce reverse osmosis desalination membranes with anti-biofouling properties
Andrew J Blok (2014)
10.17844/jphpi.v18i2.10610
Extraction and Characterization of Collagen from Sea Cucumber Flesh
A. Alhana (2015)
10.1039/c4nr07335e
Magnetic/NIR-responsive drug carrier, multicolor cell imaging, and enhanced photothermal therapy of gold capped magnetite-fluorescent carbon hybrid nanoparticles.
H. N. Wang (2015)
Bleaching of vegetable oil using organic acid activated fuller's earth (Bentonite Clay)
Atif Qayyum Khan (2015)
10.1515/AMM-2015-0376
Gold Nanoparticles Like A Matrix For Covalent Immobilization Of Cholesterol Oxidase – Application For Biosensing
Renata Wojnarowska (2015)
10.1016/J.JOEI.2018.01.002
NOx reduction studies on a diesel engine operating on waste plastic oil blend using selective catalytic reduction technique
Archit S. Ayodhya (2018)
10.1016/j.ejps.2017.10.032
Experimental optimization of Lornoxicam liposomes for sustained topical delivery
Joshny Joseph (2018)
10.1007/s10967-019-06729-w
Grafting of quaternary ammonium groups for uranium(VI) recovery: application on natural acidic leaching liquor
Mohammed F. Hamza (2019)
10.1016/J.PHYTOL.2018.03.003
Rapid quality control of Sutherlandia frutescens leaf material through the quantification of SU1 using vibrational spectroscopy in conjunction with chemometric data analysis
Thandazile Mavimbela (2018)
Raman spectroscopy shows difference in drugs at ultra high dilution prepared with stepwise mechanical agitation
Tandra Sarkar (2016)
10.23880/oajpr-16000103
Transdermal Delivery Offer for Low-Dose Acetylsalicylic Acid
Christina Voycheva (2017)
10.1016/J.SERJ.2016.11.010
Bio-oil production from dry sewage sludge by fast pyrolysis in an electrically-heated fluidized bed reactor
Renato Ortiz Arazo (2017)
Inhibitive properties of plant extract (Acalypha indica L.) on mild steel corrosion in 1N phosphoric acid.
M. Sivaraju (2010)
10.9767/BCREC.4.2.1249.43-53
Surface Modification, Characterization and Photocatalytic Performance of Nano-Sized Titania modified with Silver and Bentonite Clay
Neetu Divya (2011)
10.1088/1742-6596/566/1/012017
Colloidal synthesis and characterization of Bi2S3 nanoparticles for photovoltaic applications
R. Piras (2014)
Red Mud as a Low Cost Adsorbent to Remove Cu(II) ion from Aqueous Solutions
Kumar Sujata (2014)
10.1007/s10971-013-3247-7
Polyacrylamide-methanesulfonic acid gel polymer electrolytes for tin-air battery
Suresh Sumathi (2013)
10.1039/C8QM00162F
Introduction of newly synthesized Schiff base molecules as efficient corrosion inhibitors for mild steel in 1 M HCl medium: an experimental, density functional theory and molecular dynamics simulation study
Sourav Saha (2018)
10.1021/ES8003602
Interactions of hydrophobic fractions of dissolved organic matter with Fe(3+) - and Cu(2+)-montmorillonite.
T. Polubesova (2008)
10.3390/nano10020325
Peptide-Carbon Quantum Dots conjugate, Derived from Human Retinoic Acid Receptor Responder Protein 2, against Antibiotic-Resistant Gram Positive and Gram Negative Pathogenic Bacteria
Aninda Mazumdar (2020)
10.5004/dwt.2020.24916
Development of iron oxide nanoparticles using alginate hydrogel template for chromium (VI) ions removal
Aya Moheb Omer (2020)
10.21767/2572-4657.100006
Molecular Investigation and Nonlinear Optical Response of Dihydropyrimidinone: A Comparative Spectroscopic and Quantum Computational Studies
Dh (2017)
See more
Semantic Scholar Logo Some data provided by SemanticScholar