Determine the compound (name or structure) from the data. Explain features from each data.  Molecular formula: C6H5Br .

Principles of Instrumental Analysis
7th Edition
ISBN:9781305577213
Author:Douglas A. Skoog, F. James Holler, Stanley R. Crouch
Publisher:Douglas A. Skoog, F. James Holler, Stanley R. Crouch
Chapter6: An Introduction To Spectrometric Methods
Section: Chapter Questions
Problem 6.1QAP
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Determine the compound (name or structure) from the data. Explain features from each data. 

Molecular formula: C6H5Br .

**Fourier Transform Infrared (FTIR) Spectroscopy Analysis**

**Description:**
The graph represents a Fourier Transform Infrared (FTIR) spectroscopy analysis, which is a technique used to obtain an infrared spectrum of absorption or emission of a solid, liquid, or gas sample. The spectrum is a plot of the transmittance (or absorbance) on the y-axis against the wavenumber (measured in cm^-1) on the x-axis.

**Graph Details:**
- **Y-axis (Transmittance %):** This axis measures the percentage of light transmitted through the sample. The possible range is from 0% to 100%, with 100% meaning all light passes through and 0% meaning no light passes through. 
- **X-axis (Wavenumber cm^-1):** This axis measures the wavenumber representing the frequency of the infrared light, ranging from 4000 to 500 cm^-1. 

**Key Features:**
1. **Absorption Peaks:** The spectrum features several sharp peaks, each corresponding to a specific vibrational transition of molecular bonds within the sample material. These peaks can be analyzed to identify the functional groups present.
2. **Broad Regions:** There are regions with broad absorption bands often indicative of complex molecular interactions or overlapping vibrational modes.

**Interpreting the Spectrum:**
- Peaks in the high wavenumber region (above 3000 cm^-1) typically correspond to the stretching vibrations of X-H bonds (e.g., O-H, N-H, C-H).
- Peaks in the mid-range (2000 to 1500 cm^-1) are often associated with triple or double bonds (e.g., C≡C, C≡N, C=C, C=O).
- Peaks in the lower wavenumber region (below 1500 cm^-1), known as the fingerprint region, are unique to the specific molecular structure of the sample and can be used to identify specific organic compounds.

**Applications:**
FTIR spectroscopy is widely used in various fields such as chemical analysis, quality control, and material identification. It is particularly valuable for identifying organic, polymeric, and in some cases, inorganic materials.

**Conclusion:**
The FTIR spectrum provides detailed information about the molecular composition and structure of the sample being analyzed. By interpreting the peaks and patterns within the spectrum, one can determine the presence of specific functional groups and gain insights into the chemical makeup of
Transcribed Image Text:**Fourier Transform Infrared (FTIR) Spectroscopy Analysis** **Description:** The graph represents a Fourier Transform Infrared (FTIR) spectroscopy analysis, which is a technique used to obtain an infrared spectrum of absorption or emission of a solid, liquid, or gas sample. The spectrum is a plot of the transmittance (or absorbance) on the y-axis against the wavenumber (measured in cm^-1) on the x-axis. **Graph Details:** - **Y-axis (Transmittance %):** This axis measures the percentage of light transmitted through the sample. The possible range is from 0% to 100%, with 100% meaning all light passes through and 0% meaning no light passes through. - **X-axis (Wavenumber cm^-1):** This axis measures the wavenumber representing the frequency of the infrared light, ranging from 4000 to 500 cm^-1. **Key Features:** 1. **Absorption Peaks:** The spectrum features several sharp peaks, each corresponding to a specific vibrational transition of molecular bonds within the sample material. These peaks can be analyzed to identify the functional groups present. 2. **Broad Regions:** There are regions with broad absorption bands often indicative of complex molecular interactions or overlapping vibrational modes. **Interpreting the Spectrum:** - Peaks in the high wavenumber region (above 3000 cm^-1) typically correspond to the stretching vibrations of X-H bonds (e.g., O-H, N-H, C-H). - Peaks in the mid-range (2000 to 1500 cm^-1) are often associated with triple or double bonds (e.g., C≡C, C≡N, C=C, C=O). - Peaks in the lower wavenumber region (below 1500 cm^-1), known as the fingerprint region, are unique to the specific molecular structure of the sample and can be used to identify specific organic compounds. **Applications:** FTIR spectroscopy is widely used in various fields such as chemical analysis, quality control, and material identification. It is particularly valuable for identifying organic, polymeric, and in some cases, inorganic materials. **Conclusion:** The FTIR spectrum provides detailed information about the molecular composition and structure of the sample being analyzed. By interpreting the peaks and patterns within the spectrum, one can determine the presence of specific functional groups and gain insights into the chemical makeup of
The image above is a proton Nuclear Magnetic Resonance (NMR) spectrum. The horizontal axis of the graph is labeled "ppm," which stands for parts per million, indicating the chemical shift. The chemical shift is a measure of the resonance position of the hydrogen atoms (protons) in the sample relative to a standard.

The spectral data shows a prominent signal at approximately 7.5 ppm, annotated with "5 H". This indicates that there are 5 hydrogen atoms resonating at this particular chemical shift. The tall and narrow appearance of the peak suggests a single chemical environment for these protons.

Below the horizontal axis, the numbers range from 10 ppm on the left to 0 ppm on the right. The signal at 7.5 ppm falls within the downfield region (higher ppm values), typically associated with hydrogen atoms attached to aromatic systems (e.g., benzene rings).

At the bottom left of the graph, the reference "HPM-01-029" can be seen, which might be a sample or experiment identification code used for cataloging purposes.

This NMR spectrum is a significant tool in organic chemistry for determining the structure and environment of hydrogen atoms in molecules. The distinct peak at 7.5 ppm with an integration of 5 hydrogen atoms suggests the presence of an aromatic ring in the compound.
Transcribed Image Text:The image above is a proton Nuclear Magnetic Resonance (NMR) spectrum. The horizontal axis of the graph is labeled "ppm," which stands for parts per million, indicating the chemical shift. The chemical shift is a measure of the resonance position of the hydrogen atoms (protons) in the sample relative to a standard. The spectral data shows a prominent signal at approximately 7.5 ppm, annotated with "5 H". This indicates that there are 5 hydrogen atoms resonating at this particular chemical shift. The tall and narrow appearance of the peak suggests a single chemical environment for these protons. Below the horizontal axis, the numbers range from 10 ppm on the left to 0 ppm on the right. The signal at 7.5 ppm falls within the downfield region (higher ppm values), typically associated with hydrogen atoms attached to aromatic systems (e.g., benzene rings). At the bottom left of the graph, the reference "HPM-01-029" can be seen, which might be a sample or experiment identification code used for cataloging purposes. This NMR spectrum is a significant tool in organic chemistry for determining the structure and environment of hydrogen atoms in molecules. The distinct peak at 7.5 ppm with an integration of 5 hydrogen atoms suggests the presence of an aromatic ring in the compound.
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