Analyze IR data: Identify peaks in the IR spectrum and identify their corresponding functional groups within the sample molecule. The molecules identity is given with the IR data. Analyze H NMR: Identify which hydrogens the peaks resemble. Identify their location in the molecule along with their shift, splitting, and integral. The molecules identity is given with the H NMR.

Principles of Modern Chemistry
8th Edition
ISBN:9781305079113
Author:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Publisher:David W. Oxtoby, H. Pat Gillis, Laurie J. Butler
Chapter20: Molecular Spectroscopy And Photochemistry
Section: Chapter Questions
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  • Analyze IR data: Identify peaks in the IR spectrum and identify their corresponding functional groups within the sample molecule. The molecules identity is given with the IR data.
  • Analyze H NMR: Identify which hydrogens the peaks resemble. Identify their location in the molecule along with their shift, splitting, and integral. The molecules identity is given with the H NMR.
**Infrared Spectrum of p-Aminobenzoic Acid, Ethyl Ester**

The provided graph represents the infrared (IR) spectrum of p-aminobenzoic acid, ethyl ester. Infrared spectroscopy is an analytical technique used to identify and study chemicals by observing how they absorb infrared light, which causes molecular vibrations.

**Graph Details:**

1. **Y-Axis (Transmittance):**
   - The Y-axis represents the transmittance of the infrared light through the sample. Transmittance is the ratio of the intensity of the transmitted light to the intensity of the incident light.
   - The scale ranges from 0 to 1, where a value close to 1 means high transmittance (low absorption) and a value close to 0 means low transmittance (high absorption).

2. **X-Axis (Wavenumber):**
   - The X-axis represents the wavenumber (cm⁻¹), which is the number of wave cycles per centimeter.
   - The scale ranges from around 4000 cm⁻¹ to 500 cm⁻¹. Wavenumber is inversely proportional to wavelength; higher wavenumbers correspond to shorter wavelengths.

3. **Spectral Features:**
   - The spectrum displays several peaks at different wavenumbers, each corresponding to a specific vibrational transition in the molecule.
   - Key peaks to note:
     - Around 3300 cm⁻¹: Likely corresponds to N-H stretching vibrations.
     - Around 3000 cm⁻¹: Can be associated with C-H stretching vibrations.
     - Near 1700 cm⁻¹: Possibly indicates C=O stretching vibrations, typical of carbonyl groups.
     - Below 1500 cm⁻¹: Often referred to as the fingerprint region, which contains complex, unique patterns specific to the compound.

**Understanding the IR Spectrum:**

The IR spectrum helps in identifying functional groups within the molecule by their characteristic absorption patterns. In this case, peaks can help identify the presence of amine groups (N-H), ester groups (C=O), and hydrocarbons (C-H).

**Additional Resource:**

This data is sourced from the NIST Chemistry WebBook, which can be accessed for more detailed chemical and spectral information at [https://webbook.nist.gov/chemistry](https://webbook.nist.gov/chemistry).

This spectral data is invaluable for chemists in qualitative analysis to
Transcribed Image Text:**Infrared Spectrum of p-Aminobenzoic Acid, Ethyl Ester** The provided graph represents the infrared (IR) spectrum of p-aminobenzoic acid, ethyl ester. Infrared spectroscopy is an analytical technique used to identify and study chemicals by observing how they absorb infrared light, which causes molecular vibrations. **Graph Details:** 1. **Y-Axis (Transmittance):** - The Y-axis represents the transmittance of the infrared light through the sample. Transmittance is the ratio of the intensity of the transmitted light to the intensity of the incident light. - The scale ranges from 0 to 1, where a value close to 1 means high transmittance (low absorption) and a value close to 0 means low transmittance (high absorption). 2. **X-Axis (Wavenumber):** - The X-axis represents the wavenumber (cm⁻¹), which is the number of wave cycles per centimeter. - The scale ranges from around 4000 cm⁻¹ to 500 cm⁻¹. Wavenumber is inversely proportional to wavelength; higher wavenumbers correspond to shorter wavelengths. 3. **Spectral Features:** - The spectrum displays several peaks at different wavenumbers, each corresponding to a specific vibrational transition in the molecule. - Key peaks to note: - Around 3300 cm⁻¹: Likely corresponds to N-H stretching vibrations. - Around 3000 cm⁻¹: Can be associated with C-H stretching vibrations. - Near 1700 cm⁻¹: Possibly indicates C=O stretching vibrations, typical of carbonyl groups. - Below 1500 cm⁻¹: Often referred to as the fingerprint region, which contains complex, unique patterns specific to the compound. **Understanding the IR Spectrum:** The IR spectrum helps in identifying functional groups within the molecule by their characteristic absorption patterns. In this case, peaks can help identify the presence of amine groups (N-H), ester groups (C=O), and hydrocarbons (C-H). **Additional Resource:** This data is sourced from the NIST Chemistry WebBook, which can be accessed for more detailed chemical and spectral information at [https://webbook.nist.gov/chemistry](https://webbook.nist.gov/chemistry). This spectral data is invaluable for chemists in qualitative analysis to
**Nuclear Magnetic Resonance (NMR) Spectrum of Benzocaine**

*Sample Conditions*: Benzocaine 50 mM + TMS in chloroform-d  
*Experiment Type*: 1D proton nuclear Overhauser effect spectroscopy (prnoesy)  
*Date*: 2008/11/21  

**Analysis Details:**

This graph represents the results of a 1D proton nuclear magnetic resonance (NMR) spectroscopy experiment conducted on a benzocaine sample. The NMR spectrum provides insight into the structure of the benzocaine molecule by showing the different environments of hydrogen atoms (protons) within the molecule.

**Graph Axes:**
- The x-axis represents the chemical shift in parts per million (ppm). It ranges from 0 to 10 ppm.
- The y-axis represents the signal intensity, measured in arbitrary units (likely in tens of millions, [1e6]).

**Peaks and Chemical Shifts:**
- The peaks in the graph represent the resonance frequencies of different proton environments in the benzocaine molecule.
- Notably, multiple peaks are annotated with numerical values indicating their relative intensity or multiplicity.

**Detailed Peak Information:**
- A notable peak occurs at approximately 7.5 ppm with an intensity around 50 (indicated by "2").
- Other significant peaks are located at approximately 4.0 ppm, 2.0 ppm, and one very prominent peak at approximately 0 ppm (indicated by "3").

The chemical shift values provide clues about the electronic environment surrounding each type of proton in the benzocaine molecule. Peaks further downfield (higher ppm) suggest protons that are deshielded, usually due to electronegative atoms or pi-electrons in proximity. Peaks upfield (lower ppm) indicate more shielded protons.

**Conclusion:**
This NMR spectrum is a valuable tool for understanding the molecular structure of benzocaine. By analyzing the positions and intensities of the peaks, one can deduce the different proton environments and gain insights into the connectivity and functional groups present in the molecule. This experiment is fundamental in organic chemistry for the identification and analysis of chemical compounds.
Transcribed Image Text:**Nuclear Magnetic Resonance (NMR) Spectrum of Benzocaine** *Sample Conditions*: Benzocaine 50 mM + TMS in chloroform-d *Experiment Type*: 1D proton nuclear Overhauser effect spectroscopy (prnoesy) *Date*: 2008/11/21 **Analysis Details:** This graph represents the results of a 1D proton nuclear magnetic resonance (NMR) spectroscopy experiment conducted on a benzocaine sample. The NMR spectrum provides insight into the structure of the benzocaine molecule by showing the different environments of hydrogen atoms (protons) within the molecule. **Graph Axes:** - The x-axis represents the chemical shift in parts per million (ppm). It ranges from 0 to 10 ppm. - The y-axis represents the signal intensity, measured in arbitrary units (likely in tens of millions, [1e6]). **Peaks and Chemical Shifts:** - The peaks in the graph represent the resonance frequencies of different proton environments in the benzocaine molecule. - Notably, multiple peaks are annotated with numerical values indicating their relative intensity or multiplicity. **Detailed Peak Information:** - A notable peak occurs at approximately 7.5 ppm with an intensity around 50 (indicated by "2"). - Other significant peaks are located at approximately 4.0 ppm, 2.0 ppm, and one very prominent peak at approximately 0 ppm (indicated by "3"). The chemical shift values provide clues about the electronic environment surrounding each type of proton in the benzocaine molecule. Peaks further downfield (higher ppm) suggest protons that are deshielded, usually due to electronegative atoms or pi-electrons in proximity. Peaks upfield (lower ppm) indicate more shielded protons. **Conclusion:** This NMR spectrum is a valuable tool for understanding the molecular structure of benzocaine. By analyzing the positions and intensities of the peaks, one can deduce the different proton environments and gain insights into the connectivity and functional groups present in the molecule. This experiment is fundamental in organic chemistry for the identification and analysis of chemical compounds.
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