“Infrared spectroscopy correlation table”的意思、由来-开放百科全书

An infrared spectroscopy correlation table (or table of infrared absorption frequencies) is a list of absorption peaks and frequencies, typically reported in wavenumber, for common types of molecular bonds and functional groups.^[1]^[2] In physical and analytical chemistry, infrared spectroscopy (IR spectroscopy) is a technique used to identify chemical compounds based on the way infrared radiation is absorbed by the compound.

The absorptions in this range do not apply only to bonds in organic molecules. IR spectroscopy is useful when it comes to analysis of inorganic compounds (such as metal complexes or fluoromanganates) as well.^[3]

Group frequencies

Tables of vibrational transitions of stable^[4] and transient molecules^[5] are also available.

Bond

Type of bond

Specific type of bond

Absorption peak (cm⁻¹)

Appearance

C─H

alkyl

methyl

1260

strong

1380

weak

2870

medium to strong

2960

medium to strong

methylene

1470

strong

2850

medium to strong

2925

medium to strong

methine

2890

weak

vinyl

C═CH₂

900

strong

2975

medium

3080

medium

C═CH

3020

medium

monosubstituted alkenes

900

strong

990

strong

cis-disubstituted alkenes

670–700

strong

trans-disubstituted alkenes

965

strong

trisubstituted alkenes

800–840

strong to medium

aromatic

benzene/sub. benzene

3070

weak

monosubstituted benzene

700–750

strong

690–710

strong

ortho-disub. benzene

750

strong

meta-disub. benzene

750–800

strong

860–900

strong

para-disub. benzene

800–860

strong

alkynes

any

3300

medium

aldehydes

any

2720

medium

2820

C═C

acyclic C═C

monosub. alkenes

1645

medium

1,1-disub. alkenes

1655

medium

cis-1,2-disub. alkenes

1660

medium

trans-1,2-disub. alkenes

1675

medium

trisub., tetrasub. alkenes

1670

weak

conjugated C═C

dienes

1600

strong

1650

strong

with benzene ring

1625

strong

with C═O

1600

strong

C═C (both sp²)

any

1640–1680

medium

aromatic C═C

any

1450

weak to strong (usually 3 or 4)

1500

1580

1600

C≡C

terminal alkynes

2100–2140

weak

disubst. alkynes

2190–2260

very weak (often indistinguishable)

C=O

aldehyde/ketone

saturated aliph./cyclic 6-membered

1720

α,β-unsaturated

1685

aromatic ketones

1685

cyclic 5-membered

1750

cyclic 4-membered

1775

aldehydes

1725

influenced by conjugation (as with ketones)

carboxylic acids/derivates

saturated carboxylic acids

1710

unsat./aromatic carb. acids

1680–1690

esters and lactones

1735

influenced by conjugation and ring size (as with ketones)

anhydrides

1760

1820

acyl halides

1800

amides

1650

associated amides

carboxylates (salts)

1550–1610

amino acid zwitterions

1550–1610

O─H

alcohols, phenols

low concentration

3610–3670

high concentration

3200–3400

broad

carboxylic acids

low concentration

3500–3560

high concentration

3000

broad

N─H

primary amines

any

3400–3500

strong

1560–1640

strong

secondary amines

any

>3000

weak to medium

ammonium ions

any

2400–3200

multiple broad peaks

C─O

alcohols

primary

1040–1060

strong, broad

secondary

~1100

strong

tertiary

1150–1200

medium

phenols

any

1200

ethers

aliphatic

1120

aromatic

1220–1260

carboxylic acids

any

1250–1300

esters

any

1100–1300

two bands (distinct from ketones, which do not possess a C─O bond)

C─N

aliphatic amines

any

1020–1220

often overlapped

C═N

any

1615–1700

similar conjugation effects to C═O

C≡N (nitriles)

unconjugated

2250

medium

conjugated

2230

medium

R─N─C (isocyanides)

any

2165–2110

R─N═C═S

any

2140–1990

C─X

fluoroalkanes

ordinary

1000–1100

trifluromethyl

1100–1200

two strong, broad bands

chloroalkanes

any

540–760

weak to medium

bromoalkanes

any

500–600

medium to strong

iodoalkanes

any

500

medium to strong

N─O

nitro compounds

aliphatic

1540

stronger

1380

weaker

aromatic

1520

lower if conjugated

1350

P─C

Organophosphorus compound

aromatic

1440-1460

medium

P─O

phosphorus oxide

bonded

1195-1250

strong

free

1250-1300

strong

See also

References

1. ^{{cite book|author=George Socrates|title=Infrared and Raman Characteristic Group Frequencies: Tables and Charts|url=https://books.google.com/books?id=LDoAAjMnwEIC&pg=PP18|accessdate=5 December 2012|date=12 April 2004|publisher=John Wiley & Sons|isbn=978-0-470-09307-8|pages=18–}}
2. ^{{cite book|author=Peter Larkin|title=Infrared and Raman Spectroscopy; Principles and Spectral Interpretation|url=https://books.google.com/books?id=KPyV1DRMRbwC|accessdate=5 December 2012|date=25 May 2011|publisher=Elsevier|isbn=978-0-12-386984-5}}
3. ^{{cite book|author=Kazuo Nakamoto|title=Infrared and Raman Spectra of Inorganic and Coordination Compounds, Applications in Coordination, Organometallic, and Bioinorganic Chemistry|url=https://books.google.com/books?id=IQZKdQ1rSKQC&pg=PR9|accessdate=13 December 2012|date=16 January 2009|publisher=John Wiley & Sons|isbn=978-0-470-40587-1|pages=9–}}
4. ^{{cite book|title=NSRDS-NBS: National Standard Reference Data Series, National Bureau of Standards|url=https://www.nist.gov/data/nsrds/NSRDS-NBS-39.pdf|accessdate=13 December 2012|date=June 1972|publisher=U.S. Government Printing Office}}
5. ^{{cite journal|last1=Jacox|first1=Marilyn E.|title=Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules. Supplement B|journal=Journal of Physical and Chemical Reference Data|volume=32|issue=1|year=2003|pages=1|issn=0047-2689|doi=10.1063/1.1497629|bibcode=2003JPCRD..32....1J}}