[{"@context":"http:\/\/schema.org\/","@type":"BlogPosting","@id":"https:\/\/wiki.edu.vn\/en\/wiki6\/spectrochemistry-wikipedia\/#BlogPosting","mainEntityOfPage":"https:\/\/wiki.edu.vn\/en\/wiki6\/spectrochemistry-wikipedia\/","headline":"Spectrochemistry – Wikipedia","name":"Spectrochemistry – Wikipedia","description":"From Wikipedia, the free encyclopedia Spectrochemistry is the application of spectroscopy in several fields of chemistry. It includes analysis of","datePublished":"2018-08-28","dateModified":"2018-08-28","author":{"@type":"Person","@id":"https:\/\/wiki.edu.vn\/en\/wiki6\/author\/lordneo\/#Person","name":"lordneo","url":"https:\/\/wiki.edu.vn\/en\/wiki6\/author\/lordneo\/","image":{"@type":"ImageObject","@id":"https:\/\/secure.gravatar.com\/avatar\/44a4cee54c4c053e967fe3e7d054edd4?s=96&d=mm&r=g","url":"https:\/\/secure.gravatar.com\/avatar\/44a4cee54c4c053e967fe3e7d054edd4?s=96&d=mm&r=g","height":96,"width":96}},"publisher":{"@type":"Organization","name":"Enzyklop\u00e4die","logo":{"@type":"ImageObject","@id":"https:\/\/wiki.edu.vn\/wiki4\/wp-content\/uploads\/2023\/08\/download.jpg","url":"https:\/\/wiki.edu.vn\/wiki4\/wp-content\/uploads\/2023\/08\/download.jpg","width":600,"height":60}},"image":{"@type":"ImageObject","@id":"https:\/\/upload.wikimedia.org\/wikipedia\/commons\/thumb\/0\/0b\/Dichloromethane_IR_Spectrum.png\/463px-Dichloromethane_IR_Spectrum.png","url":"https:\/\/upload.wikimedia.org\/wikipedia\/commons\/thumb\/0\/0b\/Dichloromethane_IR_Spectrum.png\/463px-Dichloromethane_IR_Spectrum.png","height":"323","width":"463"},"url":"https:\/\/wiki.edu.vn\/en\/wiki6\/spectrochemistry-wikipedia\/","wordCount":8365,"articleBody":"From Wikipedia, the free encyclopediaSpectrochemistry is the application of spectroscopy in several fields of chemistry. It includes analysis of spectra in chemical terms, and use of spectra to derive the structure of chemical compounds, and also to qualitatively and quantitively analyze their presence in the sample. It is a method of chemical analysis that relies on the measurement of wavelengths and intensity of electromagnetic radiation.[1]  [2] Dichloromethane IR SpectrumHistory[edit]  Isaac Newton – English mathematician and Physicist  Joseph Von Fraunhofer- Bavarian Physicist  Gustav Kirchhoff – German Physicist  Thomas Young – British PolymathIt was not until 1666 that Isaac Newton showed that white lights from the sun could be dissipated into a continuous series of colors. So Newton introduced the concept which he called spectrum to describe this phenomenon. He used a small aperture to define the beam of light, a lens to collimate it, a glass prism to disperse it, and a screen to display the resulting spectrum. Newton’s analysis of light was the beginning of the science of spectroscopy. Later, It became clear that the Sun’s radiation might have components outside the visible portion of the spectrum. In 1800 William Hershel showed that the sun’s radiation extended into infrared, and in 1801 John Wilhelm Ritter also made a similar observation in the ultraviolet. Joseph Von Fraunhofer extended Newton’s discovery by observing the sun’s spectrum when sufficiently dispersed was blocked by a fine dark lines now known as Fraunhofer lines.  Fraunhofer also developed diffracting grating, which disperses the lights in much the same way as does a glass prism but with some advantages. the grating applied interference of lights to produce diffraction provides a direct measuring of wavelengths of diffracted beams. So by extending Thomas Young’s study which demonstrated that a light beam passes slit emerges in patterns of light and dark edges Fraunhofer was able to directly measure the wavelengths of spectral lines. However, despite his enormous achievements, Fraunhofer was unable to understand the origins of the special line in which he observed. It was not until 33 years after his passing that Gustav Kirchhoff established that each element and compound has its unique spectrum and that by studying the spectrum of an unknown source, one could determine its chemical compositions, and with these advancements, spectroscopy became a truly scientific method of analyzing the structures of chemical compounds. Therefore, by recognizing that each atom and molecule has its spectrum Kirchhoff and Robert Bunsen established spectroscopy as a scientific tool for probing atomic and molecular structures and founded the field of spectrochemical analysis for analyzing the composition of materials.[3]  Robert Bunsen – German ChemistIR Spectra Tables & Charts[edit]IR Spectrum Table by Frequency[4]Frequency RangeAbsorption (cm\u22121)AppearanceGroupCompound ClassComments4000\u20133000\u00a0cm\u221213700-3584medium, sharpO-H stretchingalcoholfree3550-3200strong, broadO-H stretchingalcoholintermolecular bonded3500mediumN-H stretchingprimary amine34003400-3300mediumN-H stretchingaliphatic primary amine3330-32503350-3310mediumN-H stretchingsecondary amine3300-2500strong, broadO-H stretchingcarboxylic acidusually centered on 3000\u00a0cm\u221213200-2700weak, broadO-H stretchingalcoholintramolecular bonded3000-2800strong, broadN-H stretchingamine salt3000\u20132500\u00a0cm\u221213000\u20132500\u00a0cm\u221213333-3267strong, sharpC-H stretchingalkyne3100-3000mediumC-H stretchingalkene3000-2840mediumC-H stretchingalkane2830-2695mediumC-H stretchingaldehydedoublet2600-2550weakS-H stretchingthiol2400\u20132000\u00a0cm\u221212400\u20132000\u00a0cm\u221212349strongO=C=O stretchingcarbon dioxide2275-2250strong, broadN=C=O stretchingisocyanate2260-2222weakC\u039eN stretchingnitrile2260-2190weakC\u039eC stretchingalkynedisubstituted2175-2140strongS-C\u039eN stretchingthiocyanate2160-2120strongN=N=N stretchingazide2150C=C=O stretchingketene2145-2120strongN=C=N stretchingcarbodiimide2140-2100weakC\u039eC stretchingalkynemonosubstituted2140-1990strongN=C=S stretchingisothiocyanate2000-1900mediumC=C=C stretchingallene2000C=C=N stretchingketenimine2000\u20131650\u00a0cm\u221212000\u20131650\u00a0cm\u221212000-1650weakC-H bendingaromatic compoundovertone1870-15401818strongC=O stretchinganhydride17501815-1785strongC=O stretchingacid halide1800-1770strongC=O stretchingconjugated acid halide1775strongC=O stretchingconjugated anhydride17201770-1780strongC=O stretchingvinyl \/ phenyl ester1760strongC=O stretchingcarboxylic acidmonomer1750-1735strongC=O stretchingesters6-membered lactone1750-1735strongC=O stretching\u03b4-lactone\u03b3: 17701745strongC=O stretchingcyclopentanone1740-1720strongC=O stretchingaldehyde1730-1715strongC=O stretching\u03b1,\u03b2-unsaturated esteror formates1725-1705strongC=O stretchingaliphatic ketoneor cyclohexanone or cyclopentenone1720-1706strongC=O stretchingcarboxylic aciddimer1710-1680strongC=O stretchingconjugated aciddimer1710-1685strongC=O stretchingconjugated aldehyde1690strongC=O stretchingprimary amidefree (associated: 1650)1690-1640mediumC=N stretchingimine \/ oxime1685-1666strongC=O stretchingconjugated ketone1680strongC=O stretchingsecondary amidefree (associated: 1640)1680strongC=O stretchingtertiary amidefree (associated: 1630)1650strongC=O stretching\u03b4-lactam\u03b3: 1750-1700 \u03b2: 1760-17301670\u20131600\u00a0cm\u221211670\u20131600\u00a0cm\u221211678-1668weakC=C stretchingalkenedisubstituted (trans)1675-1665weakC=C stretchingalkenetrisubstituted1675-1665weakC=C stretchingalkenetetrasubstituted1662-1626mediumC=C stretchingalkenedisubstituted (cis)1658-1648mediumC=C stretchingalkenevinylidene1650-1600mediumC=C stretchingconjugated alkene1650-1580mediumN-H bendingamine1650-1566mediumC=C stretchingcyclic alkene1648-1638strongC=C stretchingalkenemonosubstituted1620-1610strongC=C stretching\u03b1,\u03b2-unsaturated ketone1600\u20131300\u00a0cm\u221211600\u20131300\u00a0cm\u221211550-1500strongN-O stretchingnitro compound1372-12901465mediumC-H bendingalkanemethylene group1450mediumC-H bendingalkanemethyl group13751390-1380mediumC-H bendingaldehyde1385-1380mediumC-H bendingalkanegem dimethyl1370-13651400\u20131000\u00a0cm\u221211400\u20131000\u00a0cm\u221211440-1395mediumO-H bendingcarboxylic acid1420-1330mediumO-H bendingalcohol1415-1380strongS=O stretchingsulfate1200-11851410-1380strongS=O stretchingsulfonyl chloride1204-11771400-1000strongC-F stretchingfluoro compound1390-1310mediumO-H bendingphenol1372-1335strongS=O stretchingsulfonate1195-11681370-1335strongS=O stretchingsulfonamide1170-11551350-1342strongS=O stretchingsulfonic acidanhydrous1165-1150hydrate: 1230-11201350-1300strongS=O stretchingsulfone1160-11201342-1266strongC-N stretchingaromatic amine1310-1250strongC-O stretchingaromatic ester1275-1200strongC-O stretchingalkyl aryl ether1075-10201250-1020mediumC-N stretchingamine1225-1200strongC-O stretchingvinyl ether1075-10201210-1163strongC-O stretchingester1205-1124strongC-O stretchingtertiary alcohol1150-1085strongC-O stretchingaliphatic ether1124-1087strongC-O stretchingsecondary alcohol1085-1050strongC-O stretchingprimary alcohol1070-1030strongS=O stretchingsulfoxide1050-1040strong, broadCO-O-CO stretchinganhydride1000\u2013650\u00a0cm\u221211000\u2013650\u00a0cm\u22121995-985strongC=C bendingalkenemonosubstituted915-905980-960strongC=C bendingalkenedisubstituted (trans)895-885strongC=C bendingalkenevinylidene850-550strongC-Cl stretchinghalo compound840-790mediumC=C bendingalkenetrisubstituted730-665strongC=C bendingalkenedisubstituted (cis)690-515strongC-Br stretchinghalo compound600-500strongC-I stretchinghalo compound900\u2013700\u00a0cm\u22121900\u2013700\u00a0cm\u22121880 \u00b1 20strongC-H bending1,2,4-trisubstituted810 \u00b1 20880 \u00b1 20strongC-H bending1,3-disubstituted780 \u00b1 20(700 \u00b1 20)810 \u00b1 20strongC-H bending1,4-disubstituted or1,2,3,4-tetrasubstituted780 \u00b1 20strongC-H bending1,2,3-trisubstituted(700 \u00b1 20)755 \u00b1 20strongC-H bending1,2-disubstituted750 \u00b1 20strongC-H bendingmonosubstituted700 \u00b1 20benzene derivativeIR Spectra Table by Compound Class[5]Compound ClassGroupAbsorption (cm\u22121)AppearanceCommentsacid halideC=O stretching1815-1785strongalcoholsO-H stretching3700-3584medium, sharpfreeO-H stretching3550-3200strong, broadintermolecular bondedO-H stretching3200-2700weak, broadintramolecular bondedO-H bending1420-1330mediumaldehydeC-H stretching2830-2695mediumdoubletC=O stretching1740-1720strongC-H bending1390-1380mediumaliphatic etherC-O stretching1150-1085strongaliphatic ketoneC=O stretching1725-1705strongor cyclohexanone or cyclopentenonealiphatic primary amineN-H stretching3400-3300mediumalkaneC-H stretching3000-2840mediumC-H bending1465mediummethylene groupC-H bending1450mediummethyl groupC-H bending1385-1380mediumgem dimethylC-H stretching3100-3000mediumC=C stretching1678-1668weakdisubstituted (trans)C=C stretching1675-1665weaktrisubstitutedC=C stretching1675-1665weaktetrasubstitutedC=C stretching1662-1626mediumdisubstituted (cis)C=C stretching1658-1648mediumvinylideneC=C stretching1648-1638strongmonosubstitutedC=C bending995-985strongmonosubstitutedC=C bending980-960strongdisubstituted (trans)C=C bending895-885strongvinylideneC=C bending840-790mediumtrisubstitutedC=C bending730-665strongdisubstituted (cis)alkyl aryl etherC-O stretching1275-1200strongalkyneC-H stretching3333-3267strong, sharpC\u039eC stretching2260-2190weakdisubstitutedC\u039eC stretching2140-2100weakmonosubstitutedalleneC=C=C stretching2000-1900mediumamineN-H bending1650-1580mediumC-N stretching1250-1020mediumamine saltN-H stretching3000-2800strong, broadanhydrideC=O stretching1818strongCO-O-CO stretching1050-1040strong, broadaromatic amineC-N stretching1342-1266strongaromatic compoundC-H bending2000-1650weakovertonearomatic esterC-O stretching1310-1250strongazideN=N=N stretching2160-2120strongbenzene derivative700 \u00b1 20carbodiimideN=C=N stretching2145-2120strongcarbon dioxideO=C=O stretching2349strongcarboxylic acidO-H stretching3300-2500strong, broadusually centered on 3000\u00a0cm\u22121C=O stretching1760strongmonomerC=O stretching1720-1706strongdimerO-H bending1440-1395mediumconjugated acidC=O stretching1710-1680strongdimerconjugated acid halideC=O stretching1800-1770strongconjugated aldehydeC=O stretching1710-1685strongconjugated alkeneC=C stretching1650-1600mediumconjugated anhydrideC=O stretching1775strongconjugated ketoneC=O stretching1685-1666strongcyclic alkeneC=C stretching1650-1566mediumcyclopentanoneC=O stretching1745strongesterC-O stretching1210-1163strongestersC=O stretching1750-1735strong6-membered lactonefluoro compoundC-F stretching1400-1000stronghalo compoundC-Cl stretching850-550strongC-Br stretching690-515strongC-I stretching600-500strongimine \/ oximeC=N stretching1690-1640mediumisocyanateN=C=O stretching2275-2250strong, broadisothiocyanateN=C=S stretching2140-1990strongketeneC=C=O stretching2150ketenimineC=C=N stretching2000monosubstitutedC-H bending750 \u00b1 20strongnitrileC\u039eN stretching2260-2222weaknitro compoundN-O stretching1550-1500strongnone3330-3250none1870-1540none1750none1720none1372-1290none1375none1370-1365none1200-1185none1204-1177none1195-1168none1170-1155none1165-1150hydrate: 1230-1120none1160-1120none1075-1020none1075-1020none915-905none810 \u00b1 20none780 \u00b1 20none(700 \u00b1 20)none(700 \u00b1 20)phenolO-H bending1390-1310mediumprimary alcoholC-O stretching1085-1050strongprimary amideC=O stretching1690strongfree (associated: 1650)N-H stretching3500mediumsecondary alcoholC-O stretching1124-1087strongsecondary amideC=O stretching1680strongfree (associated: 1640)secondary amineN-H stretching3350-3310mediumsulfateS=O stretching1415-1380strongsulfonamideS=O stretching1370-1335strongsulfonateS=O stretching1372-1335strongsulfoneS=O stretching1350-1300strongsulfonic acidS=O stretching1350-1342stronganhydroussulfonyl chlorideS=O stretching1410-1380strongsulfoxideS=O stretching1070-1030strongtertiary alcoholC-O stretching1205-1124strongtertiary amideC=O stretching1680strongfree (associated: 1630)thiocyanateS-C\u039eN stretching2175-2140strongthiolS-H stretching2600-2550weakvinyl \/ phenyl esterC=O stretching1770-1780strongvinyl etherC-O stretching1225-1200strong\u03b1,\u03b2-unsaturated esterC=O stretching1730-1715strongor formates\u03b1,\u03b2-unsaturated ketoneC=C stretching1620-1610strong\u03b4-lactamC=O stretching1650strong\u03b3: 1750-1700 \u03b2: 1760-1730\u03b4-lactoneC=O stretching1750-1735strong\u03b3: 17701,2,3,4-tetrasubstituted1,2,3-trisubstitutedC-H bending780 \u00b1 20strongC-H bending880 \u00b1 20strong1,2-disubstitutedC-H bending755 \u00b1 20strongC-H bending880 \u00b1 20strong1,4-disubstituted orC-H bending810 \u00b1 20strongTo use an IR spectrum table, first need to find the frequency or compound in the first column, depending on which type of chart that is being used. Then find the corresponding values for absorption, appearance and other attributes. The value for absorption is usually in cm\u22121.NOTE: NOT ALL FREQUENCIES HAVE A RELATED COMPOUND.Applications[edit]Evaluation of Dual – Spectrum IR Spectrogram System on Invasive Ductal Carcinoma (IDC) Breast cancer[edit]  Breast Cancer Gross AppearanceInvasive Ductal Carcinoma (IDC) is one of the common types of breast cancer which accounts for 8 out of 10 of all invasive breast cancers. According to the American Cancer Society, more than 180,000 women in the United States find out that they have breast cancers each year, and most are diagnosed with this specific type of cancer.[6] While it is essential to detect breast cancer early to reduce the death rate there may be already more than 10,000,000 cells in breast cancer when it can be observed by x-ray mammograms. however, the IR Spectrum proposed by Szu et al seems to be more promising in detecting breast cancer cells several months ahead of a mammogram. Clinical tests have been carried out with approval of Institutional Review Board of National Taiwan University Hospital. So from August 2007 to June 2008 35 patients aged between (30-66) with an average age of 49 were enlisted in this project. the results established that about 63% of the success rate could be achieved with the cross-sectional data. Therefore the results concluded that breast cancers may be detected more accurately by cross-referencing S1 maps of multiple three-points.[7]Molecular spectroscopic Methods to Elucidation of Lignin Structure[edit]A Ligninin plant cell is a complex amorphous polymer and it is biosynthesized  from three aromatic alcohols, namely P-Coumaryl, Coniferyl, and Sinapyl alcohols. Lignin is a highly branched polymer and accounts for 15-30% by weight of lignocellulosic biomass (LCBM), so the structure of lignin will vary significantly according to the type of LCBM and the composition will depend on the degradation process.[8] This biosynthesis process is mainly consists of radical coupling reactions and it generates a particular lignin polymer in each plant species. So due to having a complex structure, various molecular spectroscopic methods have been applied to resolve the aromatic units and different interunit linkages in lignin from distinct plant species.[9]  References[edit]^ “Spectrochemical Analysis”. Britannica. 23 September 2019. Retrieved 1 May 2021.{{cite web}}:  CS1 maint: url-status (link)^ Deglr6328 (10 September 2006). “Dichloromethane near IR Spectrum”. Wikipedia Commons. Retrieved 29 April 2021.{{cite web}}:  CS1 maint: url-status (link)^ “The Era of Classical Spectroscopy”. MIT Spectroscopy Lab – History. Retrieved 1 May 2021.{{cite web}}:  CS1 maint: url-status (link)^ “IR spectrum table & chart”. Millipore Sigma. Retrieved 29 April 2021.{{cite web}}:  CS1 maint: url-status (link)^ “IR spectrum table & chart”. Millipore Sigma. Retrieved 29 April 2021.{{cite web}}:  CS1 maint: url-status (link)^ “Invasive Ductal Carcinoma: Diagnosis, Treatment, and More”. Breastcancer.org. 21 January 2020. Retrieved 2 May 2020.{{cite web}}:  CS1 maint: url-status (link)^ Lee, Chuang, Hsieh, Lee, Lee, Shih, Lee, Huang, Chang, Chen, Chia-Yen, Ching-Cheng, Hsin-Yu, Wan-Rou, Ching-Yen, Shyang-Rong, Si-Chen, Chiun-Sheng, Yeun-Chung, Chung-Ming Chen (14 June 2011). EVALUATION OF DUAL-SPECTRUM IR SPECTROGRAM SYSTEM ON INVASIVE DUCTAL CARCINOMA (IDC) BREAST CANCER. Institute of Biomedical Engineering, National Taiwan University, Taiwan. pp.\u00a0427\u2013433.{{cite book}}:  CS1 maint: multiple names: authors list (link)^ Lu, Lu, Hu, Xie, Wei, Fan, Yao, Yong-Chao, Hong-Qin, Feng-Jin, Xian-Yong, Xing (29 November 2017). “Structural Characterization of Lignin and Its Degradation Products with Spectroscopic Methods”. Journal of Spectroscopy. 2017: 1\u201315. doi:10.1155\/2017\/8951658.{{cite journal}}:  CS1 maint: multiple names: authors list (link)^ You, Xu, Tingting, Feng (5 October 2016). “Applications of Molecular Spectroscopic Methods to the Elucidation of Lignin Structure”. Applications of Molecular Spectroscopy to Current Research in the Chemical and Biological Sciences. IntechOpen. doi:10.5772\/64581. ISBN\u00a0978-953-51-2680-5. Retrieved 1 May 2021.{{cite book}}:  CS1 maint: url-status (link)"},{"@context":"http:\/\/schema.org\/","@type":"BreadcrumbList","itemListElement":[{"@type":"ListItem","position":1,"item":{"@id":"https:\/\/wiki.edu.vn\/en\/wiki6\/#breadcrumbitem","name":"Enzyklop\u00e4die"}},{"@type":"ListItem","position":2,"item":{"@id":"https:\/\/wiki.edu.vn\/en\/wiki6\/spectrochemistry-wikipedia\/#breadcrumbitem","name":"Spectrochemistry – Wikipedia"}}]}]