A Short Guide to using the NIST Webbook

David Nutt
15 Oct 201405:17
EducationalLearning
32 Likes 10 Comments

TLDRThis video offers a concise guide on utilizing the NIST Web Book for scientific data retrieval, particularly for spectroscopy applications. It demonstrates how to navigate the resource, search for specific data like the bond length of an HCl molecule, and interpret the results, including understanding the significance of the ground state and electronic states. The tutorial also highlights the importance of referencing original data sources, as exemplified by citing papers from 1972 and 1973.

Takeaways
  • 📚 The video is an introduction to using the NIST Web Book for data retrieval, particularly for specialized data in spectroscopy.
  • 🔍 The NIST Web Book is a research resource run by the National Institute for Standards and Technology, based in the US.
  • 🔎 To access the NIST Web Book, one can search for it via Google, and it is typically the first search result.
  • 🔑 The Web Book allows users to search for data by chemical formula, making it easy to find specific information like bond lengths.
  • 🧪 The example given in the video is finding the bond length of the HCl molecule, which can be searched by its chemical formula.
  • 📉 After searching, users are presented with a list of options, and the correct molecule (HCl in this case) must be selected to proceed.
  • 📊 The data for HCl includes various sections, and the 'Constants of Diatomic Molecules' section is particularly relevant for spectroscopy.
  • 🔬 The equilibrium bond length (re) is a key piece of data that can be found in the table of constants for diatomic molecules.
  • 📝 The ground state of a molecule is typically labeled with an 'X' in spectroscopy, and this is where the equilibrium bond length is found.
  • 📏 For HCl, the equilibrium bond length is given as 1.27455 angstroms, with other units such as cm⁻¹ for rotational and vibrational constants.
  • 📚 The video also mentions that references are provided, allowing users to trace the origins of the data, such as papers by Bunker and Watson from the 1970s.
Q & A

  • What is the purpose of the video?

    -The video provides a brief introduction on how to use the NIST Web Book to obtain data for calculations, particularly in the field of spectroscopy.

  • Why might someone look beyond the Red Data Book for specialized data?

    -The Red Data Book is a good starting point, but for more specialized data, especially in spectroscopy applications, the NIST Web Book is a more suitable resource.

  • Who runs the NIST Web Book?

    -The NIST Web Book is run by the National Institute for Standards and Technology, which is based in the United States.

  • How can one access the NIST Web Book?

    -To access the NIST Web Book, one can search for it on Google by typing 'NIST Web Book' and selecting the first result, which should be the Chemistry Web Book.

  • What is the process to find specific data like the bond length of a molecule on the NIST Web Book?

    -To find specific data, one needs to navigate to the relevant section of the NIST Web Book, perform a search by chemical formula, and then select the appropriate molecule from the search results.

  • Why is it necessary to search by chemical formula in the NIST Web Book?

    -Searching by chemical formula is the easiest way to find specific data about a molecule, as it directly leads to the information related to that particular compound.

  • What is the example molecule used in the video to demonstrate finding bond length?

    -The example molecule used in the video is HCl, to demonstrate how to find its bond length.

  • What section of the NIST Web Book contains the bond length data for diatomic molecules?

    -The section titled 'Constants of Diatomic Molecules' contains the bond length data for diatomic molecules.

  • What does 're' represent in the context of the NIST Web Book data table?

    -In the context of the NIST Web Book data table, 're' represents the equilibrium bond length of the molecule.

  • How is the ground state of a molecule typically labeled in spectroscopy?

    -In spectroscopy, the ground state of a molecule is typically labeled with a capital 'X'.

  • What units are commonly used for bond lengths, rotational constants, and vibrational constants in the NIST Web Book?

    -The units commonly used in the NIST Web Book are angstroms for bond lengths, and centimeters to the minus one for both rotational and vibrational constants.

  • How can one find the source of the data provided in the NIST Web Book?

    -The source of the data can be found by looking at the references provided, which often link to the original research papers or articles where the data was published.

Outlines
00:00
📚 Introduction to the NIST Web Book

This paragraph introduces the NIST Web Book as a valuable resource for scientific data, particularly for spectroscopy applications. It explains that the Web Book, managed by the National Institute for Standards and Technology in the US, is an authoritative source for various data needed in calculations and tutorials. The speaker guides viewers on how to access the Web Book through a simple Google search and navigate to specific data, such as the bond length of the HCl molecule. The process involves searching by molecular formula and selecting the relevant molecule from the results. The speaker emphasizes the importance of finding the correct section of the Web Book for the desired data, such as the 'Constants of Diatomic Molecules' for spectroscopy-related information.

05:01
🔍 How to Extract Data from the NIST Web Book

In this paragraph, the speaker demonstrates how to extract specific data, such as the equilibrium bond length of HCl, from the NIST Web Book. The process includes navigating to the 'Constants of Diatomic Molecules' section and understanding the various columns in the table, such as the electronic state, harmonic frequency, rotational constant, and equilibrium bond length. The speaker explains that for the ground state of HCl, one should look for the state labeled with a capital 'X' and find the equilibrium bond length under this state. The example shows that the equilibrium bond length of HCl in its ground state is 1.27455 angstroms. The speaker also mentions the importance of checking references for the source of the data, providing examples of two references from the 1970s that support the data presented in the Web Book.

Mindmap
Keywords
💡NIST Web Book
The NIST Web Book is an online resource provided by the National Institute for Standards and Technology, which is based in the United States. It is a significant research tool for scientific data. In the video, it is introduced as the primary source for obtaining specialized data, especially for spectroscopy applications. The script demonstrates how to navigate the NIST Web Book to find specific data, such as the bond length of the HCl molecule.
💡Red Data Book
The Red Data Book is mentioned as a common starting point for data lookup, but it is not the focus of the video. It is implied that the Red Data Book may contain more general information, whereas the NIST Web Book offers more specialized data. The script suggests that for more detailed or application-specific data, the NIST Web Book is a better resource.
💡Spectroscopy
Spectroscopy is an analytical technique used to identify substances through the spectrum of light they emit or absorb. In the context of the video, spectroscopy is the application for which the NIST Web Book is being used to find specialized data. The script uses the example of finding the bond length of the HCl molecule, which is relevant to spectroscopic studies.
💡Bond Length
Bond length refers to the distance between the nuclei of two atoms within a molecule or chemical bond. In the video, the bond length of the HCl molecule is the specific piece of data being sought from the NIST Web Book. The script shows the process of finding this data, which is essential for understanding molecular structure and properties.
💡Molecular Formula
A molecular formula represents the types and numbers of atoms in a molecule. In the video script, the formula 'HCl' is used to search for data within the NIST Web Book. The molecular formula is a crucial identifier for finding specific information about a molecule, such as its bond length.
💡Constants of Diatomic Molecules
The term 'Constants of Diatomic Molecules' refers to a set of numerical values that describe the properties of diatomic molecules, such as bond length, vibrational frequency, and rotational constants. In the video, the script guides the viewer to this section of the NIST Web Book to find the bond length of the HCl molecule, which is a key constant for diatomic molecules.
💡Equilibrium Bond Length
Equilibrium bond length is the most stable or minimum energy distance between the nuclei of two atoms in a molecule. The script specifies that the NIST Web Book lists this value for the HCl molecule as 1.27455 angstroms, which is a critical piece of data for understanding the molecule's structure.
💡Electronic State
The electronic state of a molecule refers to the arrangement of electrons in its atomic orbitals. In spectroscopy, different electronic states can affect the molecule's spectral properties. The video script mentions that the ground state, typically labeled 'X', is the state of interest when looking for the equilibrium bond length of HCl.
💡Rotational Constants
Rotational constants are numerical values that describe the rotation of a molecule and are important in the study of molecular spectroscopy. The script briefly mentions the rotational B constant in the context of finding the bond length of HCl in the NIST Web Book, indicating its relevance to spectroscopic studies.
💡Vibrational Frequency
Vibrational frequency is the rate at which a molecule vibrates and is measured in terms of wavenumbers. In the video, the script refers to the vibrational frequency of HCl as an example of the type of data available in the NIST Web Book, although it is not the primary focus of the search.
💡References
In the context of the video, references are the citations that provide the source of the data presented in the NIST Web Book. The script points out references 31 and 32, which are linked to the data for the HCl molecule, indicating where the information was originally published.
Highlights

Introduction to using the NIST web book for data retrieval in calculations.

NIST web book is a research resource for specialized data, particularly in spectroscopy.

The web book is run by the National Institute for Standards and Technology based in the US.

Expectation to use the web book for tutorial calculations and data retrieval.

Navigating to the NIST web book through a simple Google search.

Searching for data by chemical formula, exemplified by HCl.

Differentiating between isotopes like HCl, DCl, and even TCl in the search results.

Finding the bond length of HCl by navigating through the provided data.

Identifying the section on constants of diatomic molecules for spectroscopy data.

Understanding the table structure to find the equilibrium bond length.

Recognizing the ground state of HCl, labeled as 'X' in spectroscopy.

Locating the equilibrium bond length of HCl, which is 1.27455 angstroms.

Units used in the NIST web book: angstroms for bond lengths, cm^-1 for constants.

Understanding the vibrational frequency of HCl from the web book data.

Noting the references for the data, such as papers by Bunker and Watson.

The importance of referencing original data sources for research integrity.

Practical demonstration of extracting specific numerical data from the NIST web book.

Transcripts

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Related Tags
NIST Web BookSpectroscopy DataBond LengthHCL MoleculeResearch ResourceData TutorialConstants TableEquilibrium BondGround StateElectronic StateScientific Tutorial