The next type of spectra to look at is Carbon NMR. In Carbon NMR a spectrum is produced that has peaks for each unique carbon in the molecule. Carbon NMR is possible because radio waves are shot through a sample already aligned on a very large magnet and the nuclei of the atoms switch to a higher energy state. It requires different wavelengths to flip different carbons. The locations of the peaks on the spectrum shows what type of functional groups the carbons are part of. Figure 6 shows the Carbon NMR for ibuprofen. In the figure there is a drawing of ibuprofen with the unique carbons numbered. These numbers align to the spectra underneath and the information given in purple. Anywhere from 10-60ppm are alkanes. That means there should have …show more content…
It is actually found using the same technique as Carbon NMR. However, Hydrogen NMR can figure out the number of neighboring hydrogens. Each of the peaks in the spectrum can be split. The number of splits is from the formula N+1. N is the number of hydrogens attached to directly neighboring carbon atoms. Figure 7 shows the locations of each unique hydrogen and Table 2 describes these hydrogens. It was very difficult to find a spectrum that showed the hydrogen, so the PPM Range in the table shows where the peak would have been located if it was on a spectrum. Hydrogen 1, 3, and 6 fall in the alkyl range, 0.9-1.5ppm, this means that they are hydrogens that are attached to carbons these carbons have two or three hydrogens bonded to them. Hydrogen 2 and 5 are in the allylic range meaning that they are hydrogens that are the only hydrogen bonded to that particular carbon. Hydrogen 4 is an aromatic hydrogen that means its peak is found between 6.0-8.5ppm and is part of the benzene ring. Lastly, there is hydrogen connected to the Carboxylic Acid group, Hydrogen 7. It is located between 10.5-12.0ppm. There is no splitting pattern with this hydrogen because splitting patterns only happen when it is hydrogens bonded to a
As a final point, the unknown secondary alcohol α-methyl-2-naphthalenemethanol had the R-configuration since it reacted the fastest with S-HBTM and much slower with R-HBTM. TLC was a qualitative method and ImageJ served as a quantitative method for determining which reaction was the faster esterification. Finally, 1H NMR assisted in identifying the unknown from a finite list of possible alcohols by labeling the hydrogens to the corresponding peaks.
The percent yield of products that was calculated for this reaction was about 81.2%, fairly less pure than the previous product but still decently pure. A carbon NMR and H NMR were produced and used to identify the inequivalent carbons and hydrogens of the product. There were 9 constitutionally inequivalent carbons and potentially 4,5, or 6 constitutionally inequivalent hydrogens. On the H NMR there are 5 peaks, but at a closer inspection of the product, it seems there is only 4 constitutionally inequivalent hydrogens because of the symmetry held by the product and of this H’s. However, expansion of the peaks around the aromatic region on the NMR show 3 peaks, which was suppose to be only 2 peaks. In between the peaks is a peak from the solvent, xylene, that was used, which may account to for this discrepancy in the NMR. Furthermore, the product may have not been fully dissolved or was contaminated, leading to distortion (a splitting) of the peaks. The 2 peaks further down the spectrum were distinguished from two H’s, HF and HE, based off of shielding affects. The HF was closer to the O, so it experienced more of an up field shift than HE. On the C NMR, there are 9 constitutionally inequivalent carbons. A CNMR Peak Position for Typical Functional Group table was consulted to assign the carbons to their corresponding peaks. The carbonyl carbon, C1, is the farthest up field, while the carbons on the benzene ring are in the 120-140 ppm region. The sp3 hybridized carbon, C2 and C3, are the lowest on the spectrum. This reaction verifies the statement, ”Measurements have shown that while naphthalene and benzene both are considered especially stable due to their aromaticity, benzene is significantly more stable than naphthalene.” As seen in the reaction, the benzene ring is left untouched and only the naphthalene is involved in the reaction with maleic
...e 3. Both letters A and B within the structure of trans-9-(2-phenylethenyl) anthracene, that make up the alkene, have a chemical shift between 5-6 ppm and both produce doublets because it has 1 adjacent hydrogen and according to the N + 1 rule that states the number of hydrogens in the adjacent carbon plus 1 provides the splitting pattern and the number of peaks in the split signal, which in this case is a doublet.1 Letters C and D that consist of the aromatic rings, both are multiplets, and have a chemical shift between 7-8 ppm. 1H NMR could be used to differentiate between cis and trans isomers of the product due to J-coupling. When this occurs, trans coupling will be between 11 and 19 Hz and cis coupling will be between 5 and 14 Hz, showing that cis has a slightly lowered coupling constant than trans, and therefore have their respective positions in a product. 2
The IR spectrum that was obtained of the white crystals showed several functional groups present in the molecule. The spectrum shows weak sharp peak at 2865 to 2964 cm-1, which is often associated with C-H, sp3 hybridised, stretching in the molecule, peaks in this region often represent a methyl group or CH2 groups. There are also peaks at 1369 cm-1, which is associated with CH3 stretching. There is also C=O stretching at 1767 cm-1, which is a strong peak due to the large dipole created via the large difference in electronegativity of the carbon and the oxygen atom. An anhydride C-O resonates between 1000 and 1300 cm-1 it is a at least two bands. The peak is present in the 13C NMR at 1269 and 1299 cm-1 it is of medium intensity.
A weak peak was at a position between 1600-1620 cm-1 can also be seem in the IR, which was likely to be aromatic C=C functional group that was from two benzene rings attached to alkynes. On the other hand, the IR spectrum of the experimental diphenylacetylene resulted in 4 peaks. The first peak was strong and broad at the position of 3359.26 cm-1, which was most likely to be OH bond. The OH bond appeared in the spectrum because of the residue left from ethanol that was used to clean the product at the end of recrystallization process. It might also be from the water that was trapped in the crystal since the solution was put in ice bath during the recrystallization process. The second peak was weak, but sharp. It was at the position of 3062.93 cm-1, which indicated that C-H (sp2) was presence in the compound. The group was likely from the C-H bonds in the benzene ring attached to the alkyne. The remaining peaks were weak and at positions of 1637.48 and 1599.15 cm-1, respectively. This showed that the compound had aromatic C=C function groups, which was from the benzene rings. Overall, by looking at the functional groups presented in the compound, one can assume that the compound consisted of diphenylacetelene and ethanol or
Experimental and Computation Vibration-Rotation Spectroscopy for Carbon Monoxide Through the Use of High-Resolution Infrared (IR) Spectra
electrophoresis. The way the PCR method works is by first mixing a solution containing the
If the elimination happens with either protons in the terminal methyl group, the resultant product is 1-butene, a Hoffman product (monosubstituted alkene). In contrast, elimination of either -hydrogens by the conjugate base of sulfuric acid (HSO4) on the methylene group leads to an alkene that is dissubstituted. Either the cis- or trans-2-butene can form depending on which hydrogen is deprotonated. These are the Saytzeff products since they are the most popular ones. In this case, the trans-alkene is the most stable, thus one should see the greatest area for the second peak when analyzing the gaseous products under gas chromatography.
After performing the second TLC analysis (Figure 4), it was apparent that the product had purified because of the separation from the starting spot, unlike Figure 3. In addition, there was only spot that could be seen on the final TLC, indicating that only one isomer formed. Since (E,E) is the more stable isomer due to a less steric hindrance relative to the (E,Z) isomer, it can be inferred that (E,E) 1,4-Diphenyl-1,3-butadiene was the sole product. The proton NMR also confirmed that only (E,E) 1,4-Diphenyl-1,3-butadiene formed; based on literature values, the (E,E) isomer has peaks between 6.6-7.0 ppm for vinyl protons and 7.2-7.5 ppm for the phenyl protons. Likewise, the (E,Z) isomer has vinyl proton peaks at 6.2-6.5 ppm and 6.7-6.9 ppm in addition to the phenyl protons. The H NMR in Figure 5 shows multiplets only after 6.5 ppm, again confirming that only (E,E) 1,4-Diphenyl-1,3-butadiene formed. In addition, the coupling constant J of the (E,E) isomer is around 14-15 Hz, while for the (E,Z) isomer it is 11-12 Hz. Based on the NMR in Figure 5, the coupling constant is 15.15 Hz, complementing the production of (E,E)
A highly conserved aminocyclitol ring, a central scaffold that is linked to various aminosugar moieties. The aminocyclitol ring is comprised primarily of 2-deoxystreptamine. And has 1,3-diamino functionality and three or four hydroxyl groups that provide anchoring points for aminosugar. Aminoglycosides can be divided into 3 subclasses, depending on the substitution pattern: 4-monosubsituted, or 4, 5- or 4, 6- disubstituted. Aminoglycosides in each class show close structural resemblance. Although, 2-deoxystreptamine or 2 deoxy-myo-inosa-1,3-diamine is actually derived from D-glucose-6-phosphate biosynthetically, the numbering system is based on streptamine’s biogenic precursor myo-inosa. (Chittapragada, Roberts & Ham, 2009)
3,7-dimethylpurine-2,6-dione, more commonly known as theobromine is an alkaloid. Theobromine gets its name from Theobroma which is comprised of two Greek words, theo (god) and broma (food). It is composed of carbon, oxygen, nitrogen and hydrogen atoms, the molecular formula being C7H8N4O2. All these atoms together produce a molecular weight of 180.167g/mol. Theobromine has a hexagonal part and a pentagonal part connected by two carbons with a double bond between them. The interior angles for the hexagonal portion are all 120. There are two ketones on the second and sixth atom’s, both are carbons because they are carbonyl groups. They both form 120 angles with their respective carbons. Also on the hexagonal part is a hydrogen attached to a nitrogen bonded at an angle of 107 up (not on the same plane) because of the lone pair of electrons. Both the hexagonal and pentagonal part have a methylpurine group on atoms 3 and 7 which are both nitrogen causing them to have a bond angle of 107 up (not on the same plane) because of the lone pair of electrons. These two groups have a tetrahedral shape making all the angle around the carbon to be
The functional groups that where identified by the proton NMR in this compound are methoxy, sulfoxide, as well as an amine functional group. The methoxy group will shift between 3.5to 4.0 ppm in the ‘H NMR. A sulfoxide group will not show in the ‘H NMR because it has no hydrogens attached to it. An amine group will indicate between 8.0-9.0ppm in the ‘HNMR meaning it is more downfield based on the groups around it.8 The peaks were applied based on the rule n+1, where n is the number of neighboring hydrogens. Methoxy is a singlet because when looking at the structure of esomeprazole magnesium, you notice that there is no neighboring hydrogen therefore showing that 0+1= 1. The parts labelled B and C are the sulfoxide and amine groups which are both doublets because they have neighboring hydrogens which averages two as 1+1=2.
Spectroscopy Spectroscopy is the study of energy levels in atoms or molecules, using absorbed or emitted electromagnetic radiation. There are many categories of spectroscopy eg. Atomic and infrared spectroscopy, which have numerous uses and are essential in the world of science. When investigating spectroscopy four parameters have to be considered; spectral range, spectral bandwidth, spectral sampling and signal-to-noise ratio, as they describe the capability of a spectrometer. In the world of spectroscopy there are many employment and educational opportunities as the interest in spectroscopy and related products is increasing.
Carbon Carbon is one of the basic elements of matter (Bush 1230-1231). The name carbon comes from the Latin word "carbo" meaning charcoal. Carbon is the sixth most abundant element (Gangson). More than 1,000,000 compounds are made from carbon (Carbon (C)). "The Element Carbon is defined as a naturally abundant non-metallic element that occurs in many inorganic and in all organic compounds, exists freely as graphite and diamond and as a constituent of coal, limestone, and petroleum, and is capable of chemical self-bonding to form an enormous number of chemically, biologically, and commercially important molecules.
Benzoin is viewed as off-white crystals, with a slight camphor odor. A camphor smells of vanilla with a slight medicinal scent. The substance's formal hydrocarbon chemical name is 2-Hydroxy-1,2-diphenylethanone. Many other names for Benzoin includes 2-Hydroxy-2 – phenyl acetophenone benzoylphenyl carbinol, and Alpha-hydroxylbenzyl phenyl ketone. The structure for Benzoin is illustrated by Figure 1. The structure includes two benzine rings with multiple bonds, including oxygen and hydrogen, off of them. The molecular formula is C14H12O2 . This chemical is found in two functional groups, the alcohol group and the ketone group.