Interpretation of organic spectra:
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Singapore
Wiley
2011
|
| Edition: | 1. publ. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis Klappentext |
| Item Description: | Includes index. - Formerly CIP Uk |
| Physical Description: | XII, 412 S. graph. Darst. |
| ISBN: | 9780470825167 0470825162 |
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Record in the Search Index
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|---|---|
| adam_text | Interpretation
of ORGANIC SPECTRA
Yong-Cheng
Ning
Tsinghua University, People s Republic of China
...what one might call the
Ning
gold standard in the
spectroscopie
text book literature...
Richard R. Ernst, Nobel Laureate Chemistry
1991
In Interpretation of Organic Spectra Professor Yong-Cheng
Ning
fills a gap in the existing book literature
by introducing and providing comprehensive analysis of nuclear magnetic resonance (NMR) spectra, mass
spectra (MS), and infrared
(IR)
spectra. In each chapter, the author builds practical application skills by
providing various challenging examples. In the last section,
Ning
details the strategy, skills and methods
on how to identify an unknown compound through a combination of spectra. Based on nearly
40
years
research and teaching experience, the author also proposes some original and creative ideas, which are
very practical for spectral interpretation.
•
Authored by an experienced scientist working in the field for nearly four decades
•
Systematically presents the latest development in the field of organic spectroscopy
•
Arms readers with both theoretical and experimental aspects of the intended area
•
Presents varied challenging examples to help build competence and confidence
Graduate and senior undergraduate students in organic chemistry, analytical chemistry, spectroscopy,
bio-organic chemistry, and other related fields will find this book a key reference for NMR, MS and
IR
techniques. The book can also be used as a main text for advanced courses on Structural Identification of
Organic Compounds and Organic Spectroscopy, Analytical Chemistry, Instrumentation Analysis, Spectroscopy,
Instrumental Analysis of Organic and Inorganic Compounds, Synthesis and Characterization of Organic
Compounds.
About the author
Yong-Cheng
Ning
studied at the Engineering-Physics Department of Tsinghua
University, Beijing, China where after his graduation he worked as a faculty
member. From
1971
to
1978
he researched structural identification of organic
compounds at the Institute of Chemical Engineering in Shenyang. Between
1981
and
1984
Yong-Chen
Ning
participated in research in NMR, MS, X-ray
diffraction and alkaloid laboratories of the Institute of Chemistry of Natural
Substances in Paris. Since
1993
he has been a full professor at the Tsinghua
University. Yong-Chen Ning s books have won several awards, including the
prize for excellent teaching materials, and are part of China s standard
curriculum. His book Structural Identification of Organic Compounds and
Organic Spectroscopy (Chinese) was awarded the second-class prize for
Excellent Teaching Materials in
1992
and Excellent Textbook for Graduate
Students in
2003
by the Ministry of Education of China.
Also by Yong-Cheng
Ning
Strudural
Identification of
Organic Compounds with
Spectroscopie
Techniques,
978-3-527-31240-5, 468
pages,
Wiley-VCH, May
2005
Contents
Foreword
ix
Preface
xi
1
Interpretation of
Ή
NMR spectra
1
1.1
Chemical shift
3
1.1.1
Conception of chemical shift
3
1.1.2
Factors affecting chemical shifts
3
1.2
Coupling constant
J
7
1.2.1
Coupling effect and coupling constant
J
7
1.2.2
Discussion of coupling constants according to their kinds
8
1.3
Chemical equivalence and magnetic equivalence
11
1.3.1
Chemical equivalence
13
1.3.2
Magnetic equivalence
17
1.3.3
Classification of
Ή
spectra
18
1.4
Characteristics of the
Ή
spectra of some functional groups
19
1.4.1
Substituted phenyl ring
19
1.4.2
Substituted heteroaromatic ring
21
1.4.3
Normal long-chain
alkyl
group
21
1.4.4
Carbonyl compounds
21
1.4.5
Reactive hydrogen atom
22
1.4.6
Compounds containing fluorine or phosphor atoms
23
1.5
Interpretation of
Ή
NMR spectra
23
1.5.1
Find impurity peaks, pay attention to the solvent applied
24
1.5.2
Calculation of the unsaturation number of the unknown
compound
24
1.5.3
Determination of the number of hydrogen atoms
corresponding to every peak set in the
Η
spectrum
25
1.5.4
Determination of functional groups of the unknown
compound
26
1.5.5
Analysis of coupling splittings of peak sets
26
1.5.6
Combination of possible structural units
27
1.5.7
Assignment of the
Ή
spectrum according to the
deduced structure
28
1.5.8
Checking of the deduced structure
28
1.6
Examples of
Ή
spectrum interpretation
29
Reference
38
vi
Contents
2 Interpretation
of 13C
NMR
spectra
39
2.1
Characteristics and advantages of the 13C NMR spectra
39
2.2
The main parameter of the 3C spectrum is the chemical shift
41
2.3
Chemical shift values of common functional groups and main
factors affecting chemical shift values
42
2.3.1
Alkanes and their derivatives
43
2.3.2
Cycloalkanes and their derivatives
45
2.3.3
Alkylenes and their derivatives
45
2.3.4
Benzene and its derivatives
46
2.3.5
Carbonyl groups
47
2.4
Determination of the carbon atom orders
47
2.5
Steps for 13C NMR spectrum interpretation
48
2.5.1
Recognizing impurity peaks and identifying solvent peaks
49
2.5.2
Calculation of the unsaturation number of the unknown
compound
50
2.5.3
Consideration of chemical shift values of peaks
50
2.5.4
Determination of carbon atom orders
51
2.5.5
Postulation
of possible functional groups
51
3
Interpretation of 2D NMR spectra
53
3.1
General knowledge about 2D NMR spectra
53
3.2
Homonuclear shift correlation spectroscopy, COSY
(H, H-COSY)
54
3.3
Heteronuclear shift correlation spectroscopy
68
3.4
Long-range heteronuclear shift correlation spectroscopy
75
3.5
NOESY and ROESY
79
3.6
Total correlation spectroscopy, TOCSY
84
References
85
4
Interpretation of mass spectra
87
4.1
Basic knowledge of organic mass spectrometry
87
4.1.1
Mass spectra
87
4.1.2
Ionization in organic mass spectrometry
87
4.1.3
Ion types in organic mass spectrometry
88
4.2
Isotopie
ion clusters in mass spectra
89
4.3
Interpretation of El MS
91
4.3.1
Determination of molecular ion peak
91
4.3.2
Interpretation of fragment ion peaks
93
4.3.3
Interpretation of rearrangement ion peaks
98
4.3.4
Complex cleavages of alicyclic compounds
100
4.3.5
Mass spectrum patterns of common functional groups
102
4.3.6
Interpretation of the El mass spectrum and examples
107
4.4
Interpretation of the mass spectra from soft ionization
115
4.4.1
Mass spectra from ESI (electrospray ionization)
115
4.4.2
Mass spectra from
CI
117
4.4.3
Mass spectra from FAB
118
4.4.4
Mass spectra from MALDI
119
Contents
vii
4.4.5
Mass spectra from APCI
120
4.4.6
Examples of the interpretation of mass spectra from
soft ionization
soft ionization
120
123
126
127
bUll lUlllZ-tlUUll
4.5
Interpretation of high resolution mass spectra
4.6
Interpretation of mass spectra from tandem mass spectrometry
References
5
Interpretation of infrared spectra
129
5.1
Elementary knowledge of infrared spectroscopy
129
5.1.1
Infrared spectrum
129
5.1.2
Two regions of the infrared spectrum
130
5.2
Characteristic absorption frequencies of functional groups
130
5.2.1
Elemental equation of
IR
spectroscopy
130
5.2.2
Factors affecting absorption frequencies
130
5.2.3
Characteristic frequencies of common functional groups
132
5.3
Discussion on the
IR
spectrum according to regions
132
5.3.1
Functional group region
133
5.3.2
Fingerprint region
135
5.4
Interpretation of
IR
spectra according to regions
135
5.5
Interpretation of
IR
spectra
139
5.5.1
Key points for the interpretation of
IR
spectra
139
5.5.2
Steps for the interpretation of an
IR
spectrum
140
5.5.3
Searching standard
IR
spectra from
IR
spectrum collections
or websites
140
5.5.4
Examples of interpreting
IR
spectra
141
6
Identification of unknown compounds or confirmation of structures
through comprehensive interpretation of spectra
147
6.1
Commonly used method and steps
148
6.1.1
Ή
spectrum
148
6.1.2
13C spectrum
149
6.1.3
DEFT spectrum
149
6.1.4
COSY spectrum
149
6.1.5
HMQC (or HSQC) spectrum
150
6.1.6
HMBC spectrum
150
6.2
Examples for the deduction of the structure of an unknown
compound or for the confirmation of an anticipated structure
150
Reference
408
List of abbreviations
409
Index
411
|
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| author | Ning, Yong-Cheng |
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| dewey-raw | 543/.5 |
| dewey-search | 543/.5 |
| dewey-sort | 3543 15 |
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| discipline | Chemie / Pharmazie |
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| isbn | 9780470825167 0470825162 |
| language | English |
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| spelling | Ning, Yong-Cheng Verfasser aut Interpretation of organic spectra by Yong-Cheng Ning 1. publ. Singapore Wiley 2011 XII, 412 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier Includes index. - Formerly CIP Uk Organische Verbindungen (DE-588)4043816-8 gnd rswk-swf Spektroskopie (DE-588)4056138-0 gnd rswk-swf Spectrum analysis Organic compounds / Analysis Organische Verbindungen (DE-588)4043816-8 s Spektroskopie (DE-588)4056138-0 s DE-604 Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024150809&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis Digitalisierung UB Bayreuth application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024150809&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA Klappentext |
| spellingShingle | Ning, Yong-Cheng Interpretation of organic spectra Organische Verbindungen (DE-588)4043816-8 gnd Spektroskopie (DE-588)4056138-0 gnd |
| subject_GND | (DE-588)4043816-8 (DE-588)4056138-0 |
| title | Interpretation of organic spectra |
| title_auth | Interpretation of organic spectra |
| title_exact_search | Interpretation of organic spectra |
| title_full | Interpretation of organic spectra by Yong-Cheng Ning |
| title_fullStr | Interpretation of organic spectra by Yong-Cheng Ning |
| title_full_unstemmed | Interpretation of organic spectra by Yong-Cheng Ning |
| title_short | Interpretation of organic spectra |
| title_sort | interpretation of organic spectra |
| topic | Organische Verbindungen (DE-588)4043816-8 gnd Spektroskopie (DE-588)4056138-0 gnd |
| topic_facet | Organische Verbindungen Spektroskopie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024150809&sequence=000003&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024150809&sequence=000004&line_number=0002&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT ningyongcheng interpretationoforganicspectra |