Abstract
Nuclear Magnetic Resonance (NMR) spectroscopy is considered as most powerful technique for structure elucidation of compounds. It is known as unambiguous technique for identification and structural-determination of organic compounds through its diverse variants. This chapter describes introduction to the basics of NMR technique-theory and technical interpretations, instrumentation, detailed descriptions of proton (1H) and carbon (13C)-NMR with suitable examples, brief introduction of other variants—DEPT, fluorine (19F), phosphorus (31P) of NMR techniques and recent applications of NMR-techniques in various fields.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
W. Kemp, Organic Spectroscopy, 3rd edn. (Palgrave, London, 1991), pp. 104–108
(a) H. Günther,NMR Spectroscopy: Basic Principles, Concepts and Applications in Chemistry, 3rd edn. (Wiley, New York, 2013). (b) https://mriquestions.com/who-discovered-nmr.html
R.J. Abraham, J. Fisher, P. Loftus, Introduction to NMR Spectroscopy (Wiley, New York, 2010). ncbi.nlm.nih.gov/pmc/articles/PMC3547585
P.S. Kalsi, Spectroscopy of Organic Compounds (New Delhi, New Age International, 2007), pp. 186–189
H. Kaur, Spectroscopy (Pragati Prakashan, Meerut, 2009).
J. Keeler, Understanding NMR Spectroscopy (Wiley Interscience, New Jersey, 2010).
D.L. Pavia, G.M. Lampman, G.S. Kriz, Introduction to Spectroscopy (Harcourt College publishers, United States, 2001), pp. 106–120
M.H. Levitt, Annu. Rev. Phy. Chem. (2012)
R.S. Macomber, A Complete Introduction to Modern NMR Spectroscopy (Wiley, New York, 1998).
J.B. Stothers, 13C NMR spectroscopy: a brief review. Appl. Spectrosc. 26(1), 1–16 (1972)
R.K. Harris, Nuclear Magnetic Resonance Spectroscopy (Longman Publishing Group, London, 1986), pp. 16–43
F.A. Bovey, P.A. Mirau, H.S. Gutowsky, Nuclear Magnetic Resonance Spectroscopy, 2nd edn. (Academic press, United States, 1988).
K.C. Wong, Review of NMR spectroscopy: basic principles, concepts and applications in chemistry, 3rd edn. J. Chem. Educ. 91(8), 1103–1104 (2014)
R.A. Hoffman, F. Forsen, B. Gestblom, Analysis of NMR Spectra (Springer, Berlin, 1971).
(a) P.C. Lauterb, J. Chem. Phys. 26, 217 (1957). (b) Y.R. Sharma, Elementary Organic Spectroscopy (S. Chand Publishing, New Delhi, 2007), pp. 191–247
D.W. Brown, A.J. Floyd, M. Sainsbury, Organic Spectroscopy (Wiley, New York, 1988).
F. Scheinmann (ed.), An Introduction to Spectroscopic Methods for the Identification of Organic Compounds: Nuclear Magnetic Resonance and Infrared Spectroscopy (Pergamon, United Kingdom, 2013)
M. Hasse, H. Meier, B. Zeeh, G.T. Verlag (ed.), Spectroscopic Methods in Organic Chemistry, 2nd edn. (Thieme/Houben-Weyl Series, 2007)
H. Friebolin (ed.), Basic One- and Two-Dimensional NMR Spectroscopy, 5th edn. (Wiley VCH, Unitrd States, 2010)
C.E. Johnson Jr., F.A. Bovey, J. Chem. Phys. 29, 1012 (1958)
L.M. Jackman, S. Sternhell (eds.), Application of Nuclear Magnetic Resonance Spectroscopy in Organic Chemistry, 2nd edn. (Pergamon, England, 2013)
(a) N.F. Ramsey, Phys. Rev. 86, 243 (1952) (b) P. Kanth, H.K. Singh, V. Kumar, S.K. Singh, D.S.S. Rao, S.K. Prasad, B. Singh, J. Mol. Liq. 289, 1–13 (2019)
H.K. Singh, R.K. Gupta, S.K. Singh, D.S.S. Rao, S.K. Prasad, A.S. Achalkumar, B. Singh, J. Mol. Liq. 284, 282–290 (2019)
H.K. Singh, B. Pradhan, S.K. Singh, R. Nandi, D.S.S. Rao, S.K. Prasad, A.S. Achalkumar, B. Singh, Chem. Sel. 3(14), 4027–4037 (2018)
(a) J. Homer, Appl. spectrosc. Revolut. 9(1), 1–132 (2007) (b) P. Laszlo, Prog. Nucl. Magn. Reson. Spectrosc. 3, 231–402 (Elsevier)
P.H. Chien, K.J. Griffith, H. Liu, Z. Gan, Y.-Y. Hu, Annu. Rev. Mater. Res. 50, 493–520 (2020)
F. Blanc, M. Leskes, C.P. Grey, Acc. Chem. Res. 46, 1952–1963 (2013)
O. Pecher, J. Carretero-González, K.J. Griffith, C.P. Grey, Chem. Mater. 29, 213–242 (2017)
C. Yu, S. Ganapathy, E.R.H.v. Eck, H. Wang, S. Basak, Z. Li, M. Wagemaker, Nat. Commun. 8, 1086 (2017)
S.L. Braunstein, C.M. Caves, R. Jozsa, N. Linden, S. Popescu, R. Schack, Phys. Rev. Lett. 83, 1054–1057 (1999)
P.J. Basser, J. Mattiello, D. LeBihan, Biophys. J. 66, 259–267 (1994)
R.K. Sharma, K. Sonkar, N. Sinha, P. Rebala, A.E. Albani, A. Behari, D.N. Reddy, A. Farooqui, V.K. Kapoor, PLoS ONE 11, e0166351 (2016)
R.K. Rai, N. Sinha, Anal. Chem. 84, 10005–10011 (2012)
J.K. Nicholson, J.C. Lindon, Nature 455, 1054–1056 (2008)
J.C. Lindon, J.K. Nicholson, Annu. Rev. Anal. Chem. 1, 45–69 (2008)
O. Beckonert, H.C. Keun, T.M.D. Ebbels, J. Bundy, E. Holmes, J.C. Lindon, J.K. Nicholson, Nat. Protoc. 2, 2692–2703 (2007)
O. Fiehn, in Functional Genomics, edited by C. Town (Springer, Netherlands, 2002), pp. 155–171
K. Sonkar, R.N. Purusottam, N. Sinha, Anal. Chem. 84, 4063–4070 (2012)
A.H. Emwas et al., Metabolites 9, 123 (2019)
A. Viswan, C. Singh, A.M. Kayastha, A. Azim, N. Sinha, An NMR based panorama of the heterogeneous biology of acute respiratory distress syndrome (ARDS) from the standpoint of metabolic biomarkers. NMR Biomed. 33, e4192 (2020). https://doi.org/10.1002/nbm.4192
J.L. Markley, R. Brüschweiler, A.S. Edison, H.R. Eghbalnia, R. Powers, D. Raftery, D.S. Wishart, Curr. Opin. Biotechnol. 43, 34–40 (2017)
D. Ashbaugh, D.B. Bigelow, T. Petty, B. Levine, Lancet 290, 319–323 (1967)
C. Singh et al., Metabolomics 11, 166–174 (2015)
R.K. Rai et al., Metabolomics 9, 667–676 (2013)
A. Viswan, R.K. Sharma, A. Azim, N. Sinha, J. Proteome Res. 15, 302–310 (2016)
C. Singh, R.K. Rai, A. Azim, N. Sinha, A.K. Baronia, Crit. Care 18, 594 (2014)
C. Singh, R.K. Rai, A. Azim, N. Sinha, A.K. Baronia, Crit. Care 17, 430 (2013)
C.R. Evans, A. Karnovsky, M.A. Kovach, T.J. Standiford, C.F. Burant, K.A. Stringer, J. Proteome Res. 13, 640–649 (2014)
A. Viswan, C. Singh, R.K. Rai, A. Azim, N. Sinha, A.K. Baronia, PLoS ONE 12, e0187545 (2017)
A. Viswan, P. Ghosh, D. Gupta, A. Azim, N. Sinha, Sci. Rep. 9, 2108 (2019)
P. Yang, A.M. Esper, G.S.Martin, in Annual Update in Intensive Care and Emergency Medicine 2020, edited by J.-L. Vincent (Springer International Publishing, Cham, 2020), pp. 91–100
K.H. Mroue, A. Viswan, N. Sinha, A. Ramamoorthy, in Annual Reports on NMR Spectroscopy, edited by G.A. Webb (Academic Press, 2017), pp. 365–413
R.K. Rai, T. Barbhuyan, C. Singh, M. Mittal, M.P. Khan, N. Sinha, N. Chattopadhyay, PLoS ONE 8, e83478 (2014)
C. Singh, R.K. Rai, N. Sinha, Experimental aspect of solid-state nuclear magnetic resonance studies of biomaterials such as bones. Solid State Nucl. Magn. Reson. 54, 18–25 (2013). https://doi.org/10.1016/j.ssnmr.2013.05.003
C. Singh, R.K. Rai, A.M. Kayastha, N. Sinha, Magn. Reson. Chem. 54, 132–135 (2016)
E. Davies, K.H. Müller, W.C. Wong, C.J. Pickard, D.G. Reid, J.N. Skepper, M.J. Duer, Proc. Natl. Acad. Sci. 111, E1354–E1363 (2014)
P. Zhu, J. Xu, N. Sahar, M.D. Morris, D.H. Kohn, A. Ramamoorthy, J. Am. Chem. Soc. 131, 17064–17065 (2009)
R.K. Rai, N. Sinha, J. Phys. Chem. C 115, 14219–14227 (2011)
O. Nikel, D. Laurencin, C. Bonhomme, G.E. Sroga, S. Besdo, A. Lorenz, D. Vashishth, J. Phys. Chem. C 116, 6320–6331 (2012)
A.K. Singh et al., Mater. Sci. Eng. C 62, 574–584 (2016)
A.K. Teotia, D.B. Raina, C. Singh, N. Sinha, H. Isaksson, M. Tägil, L. Lidgren, A. Kumar, A.C.S. Appl, Mater. Inter. 9, 6816–6828 (2017)
R.K. Rai, C. Singh, N. Sinha, J. Phys. Chem. B 119, 201–211 (2015)
J. Bella, B. Brodsky, H.M. Berman, Structure 3, 893–906 (1995)
M.D. Shoulders, R.T. Raines, Annu. Rev. Biochem. 78, 929–958 (2009)
C. Singh, N. Sinha, J. Phys. Chem. C 120, 9393–9398 (2016)
C. Singh, R.N. Purusottam, A. Viswan, N. Sinha, J. Phys. Chem. C 120, 21871–21878 (2016)
K.H. Mroue, N. MacKinnon, J. Xu, P. Zhu, E. McNerny, D.H. Kohn, M.D. Morris, A. Ramamoorthy, J. Phys. Chem. B 116, 11656–11661 (2012)
K.H. Mroue, R. Zhang, P. Zhu, E. McNerny, D.H. Kohn, M.D. Morris, A. Ramamoorthy, J. Magn. Reson. 244, 90–97 (2014)
C. Singh, R.K. Rai, F. Aussenac, N. Sinha, J. Phys. Chem. Lett. 5, 4044–4048 (2014)
W.Y. Chow, B.P. Norman, N.B. Roberts, L.R. Ranganath, C. Teutloff, R. Bittl, M.J. Duer, J.A. Gallagher, H. Oschkinat, Angew. Chem. Int. Ed. 59, 11937–11942 (2020)
N. Tiwari, S. Wegner, A. Hassan, N. Dwivedi, R. Rai, N. Sinha, Magn. Reson. Chem (n/a)
W.Y. Chow et al., Science 344, 742–746 (2014)
R. Tycko, Annu. Rev. Phy. Chem. 62, 279–299 (2011)
V.S. Mandala, J.K. Williams, M. Hong, Annu. Rev. Biophys. 47, 201–222 (2018)
M. Hong, Y. Zhang, F. Hu, Ann. Rev. Phys. Chem. 63, 1–24 (2012)
J. Kragelj, V. Ozenne, M. Blackledge, M.R. Jensen, Chem. Phys. Chem. 14, 3034–3045 (2013)
M.R. Jensen, R.W.H. Ruigrok, M. Blackledge, Curr. Opin. Struc. Biol. 23, 426–435 (2013)
S.K. Dutta, Y. Yao, F.M. Marassi, J. Phys. Chem. B 121, 7561–7570 (2017)
F.M. Marassi, Y. Ding, C.D. Schwieters, Y. Tian, Y. Yao, J. Biomol. NMR 63, 59–65 (2015)
S.H. Park, J. Wu, Y. Yao, C. Singh, Y. Tian, F.M. Marassi, S.J. Opella, Biochim. Biophys. Acta Biomembr. 1862, 183333 (2020)
J. Radoicic, S.H. Park, S.J. Opella, Biophys. J. 115, 22–25 (2018)
S.H. Park, S. Berkamp, G.A. Cook, M.K. Chan, H. Viadiu, S.J. Opella, Biochemistry 50, 8983–8985 (2011)
M. Lee, H. Yao, B. Kwon, A.J. Waring, P. Ruchala, C. Singh, M. Hong, J. Mol. Biol. 430, 695–709 (2018)
J.R. Schnell, J.J. Chou, Nature 451, 591–595 (2008)
S.D. Cady, K. Schmidt-Rohr, J. Wang, C.S. Soto, W.F. DeGrado, M. Hong, Nature 463, 689–692 (2010)
S.D. Cady, W. Luo, F. Hu, M. Hong, Biochemistry 48, 7356–7364 (2009)
M. Yi, T.A. Cross, H.-X. Zhou, Proc. Natl. Acad. Sci. 106, 13311–13316 (2009)
V.S. Mandala, S.-Y. Liao, B. Kwon, M. Hong, J. Mol. Biol. 429, 2192–2210 (2017)
A. Lange, K. Giller, S. Hornig, M.-F. Martin-Eauclaire, O. Pongs, S. Becker, M. Baldus, Nature 440, 959–962 (2006)
S.H. Park et al., Nature 491, 779–783 (2012)
N.W. Rigel, T.J. Silhavy, Curr. Opin. Microbiol. 15, 189–193 (2012)
C. Pinto, D. Mance, T. Sinnige, M. Daniëls, M. Weingarth, M. Baldus, Nat. Commun. 9, 4135 (2018)
K. Shin, J.E. Kent, C. Singh, L.M. Fujimoto, J. Yu, Y. Tian, W. Im, F.M. Marassi, Proc. Natl. Acad. Sci. 117, 18504–18510 (2020)
M.T. Eddy, Y. Su, R. Silvers, L. Andreas, L. Clark, G. Wagner, G. Pintacuda, L. Emsley, R.G. Griffin, J. Biomol. NMR 61, 299–310 (2015)
C. Ma, S.J. Opella, J. Magn. Reson 146, 381–384 (2000)
S. Hiller, G. Wagner, Curr. Opin. Struct. Biol. 19, 396–401 (2009)
S. Lee, M.F. Mesleh, S.J. Opella, J. Biomol. NMR 26, 327–334 (2003)
T.K. Ritchie, Y.V. Grinkova, T.H. Bayburt, I.G. Denisov, J.K. Zolnerciks, W.M. Atkins, S.G. Sligar, Methods Enzymol. 464, 211–231 (2009)
I.G. Denisov, Y.V. Grinkova, A.A. Lazarides, S.G. Sligar, J. Am. Chem. Soc. 126, 3477–3487 (2004)
M.L. Nasr et al., Nat. Methods 14, 49–52 (2017)
A.D. Buckingham, Can. J. Chem. 38(2), 300–330 (1960)
C. Singh et al., Mol. Microbiol (n/a)
M. Zhang, R. Huang, R. Ackermann, S.-C. Im, L. Waskell, A. Schwendeman, A. Ramamoorthy, Angew. Chem. Int. Ed. 55, 4497–4499 (2016)
T. Ravula, N.Z. Hardin, A. Ramamoorthy, Chem. Phys. Lipids 219, 45–49 (2019)
M. Ohmenhaeuser, Y.B. Monakhova, T. Kuballa, D.W. Lachenmeier, I.S.R.N. Anal, Chem. 2013, 825318 (2013)
M. Lolli, D. Bertelli, M. Plessi, A.G. Sabatini, C. Restani, J. Agric. Food Chem. 56, 1298–1304 (2008)
R.d.O.R. Ribeiro, E.T. Mársico, C.d.S. Carneiro, M.L.G. Monteiro, C.C. Júnior, E.F.O.d. Jesus, J. Food Eng. 135, 39–43 (2014).
E. Schievano, M. Sbrizza, V. Zuccato, L. Piana, M. Tessari, Food Chem. 309, 125788 (2020)
C. He, Y. Liu, H. Liu, X. Zheng, G. Shen, J. Feng, Food Res. Int. 130, 108936 (2020)
E.O. Olawode, R. Tandlich, G. Cambray, Molecules 23, 578 (2018)
M.N. Mădaş, L.A. Mărghitaş, D.S. Dezmirean, O. Bobiş, O. Abbas, S. Danthine, F. Francis, E. Haubruge, B.K. Nguyen, Food Rev. Int. 36, 215–240 (2020)
R. Sacchi, F. Addeo, L. Paolillo, Mag. Reson. Chem. 35, S133–S145 (1997)
M. Nilsson, I.F. Duarte, C. Almeida, I. Delgadillo, B.J. Goodfellow, A.M. Gil, G.A. Morris, J. Agric. Food Chem. 52, 3736–3743 (2004)
U.K. Sundekilde, L.B. Larsen, H.C. Bertram, Metabolites 3, 204–222 (2013)
Acknowledgements
MR and SKS are grateful to the Department of Science and Technology, New Delhi, India (Project No. 000628/001) for providing financial assistance. CS acknowledges the financial support from Banaras Hindu University.
Author information
Authors and Affiliations
Corresponding authors
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2021 The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.
About this chapter
Cite this chapter
Rashid, M., Singh, S.K., Singh, C. (2021). Nuclear Magnetic Resonance Spectroscopy: Theory and Applications. In: Singh, D.K., Pradhan, M., Materny, A. (eds) Modern Techniques of Spectroscopy. Progress in Optical Science and Photonics, vol 13. Springer, Singapore. https://doi.org/10.1007/978-981-33-6084-6_18
Download citation
DOI: https://doi.org/10.1007/978-981-33-6084-6_18
Published:
Publisher Name: Springer, Singapore
Print ISBN: 978-981-33-6083-9
Online ISBN: 978-981-33-6084-6
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)