A computational study of the enthalpies of formation of halomethylidynes

Thumbnail image of item number 1 in: 'A computational study of the enthalpies of formation of halomethylidynes'.
Thumbnail image of item number 2 in: 'A computational study of the enthalpies of formation of halomethylidynes'.
Thumbnail image of item number 3 in: 'A computational study of the enthalpies of formation of halomethylidynes'.
Thumbnail image of item number 4 in: 'A computational study of the enthalpies of formation of halomethylidynes'.
Showing 1-4 of 5 pages in this article.

PDF Version Also Available for Download.

Description

Article on a computational study of the enthalpies of formation of halomethylidynes.

Physical Description

5 p.

Creation Information

Marshall, Paul; Misra, Ashutosh & Schwartz, Martin January 22, 1999.

Context

This article is part of the collection entitled: UNT Scholarly Works and was provided by the UNT College of Arts and Sciences to the UNT Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 45 times. More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Authors

Publisher

Provided By

UNT College of Arts and Sciences

The UNT College of Arts and Sciences educates students in traditional liberal arts, performing arts, sciences, professional, and technical academic programs. In addition to its departments, the college includes academic centers, institutes, programs, and offices providing diverse courses of study.

About | Browse this Partner

Contact Us

Corrections Questions

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Degree Information

Description

Article on a computational study of the enthalpies of formation of halomethylidynes.

Physical Description

5 p.

Notes

Abstract: The halomethylidynes CH, CF, CCI, CBr, and Cl have been investigated using GAUSSIAN-2 theory and calculations up to QCISD(T)/6-311 + G(3df,2p). At the latter level of theory bond lengths, harmonic frequencies, and anharmonicity corrections have been derived and compare well with experimental measurements where these are available. GAUSSIAN-2 and QCISD(T)/6-311 + G(3df,2p) energies were employed in isodesmic reactions to obtain the following recommended enthalpies of formation (∆fH(298)) in kJ mol(-1) : CF, 248.6; CCl, 436.9; CBr, 497.1; Cl, 557.6. Estimated error limits are ± 6 kJ mol(-1).

Copyright © 1999 American Institute of Physics. The following article appeared in the Journal of Chemical Physics, 110:4, http://dx.doi.org/10.1063/1.477870.

Source

  • Journal of Chemical Physics, 110(4), American Institute of Physics, January 22, 1999, pp. 1-5

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

Publication Information

  • Publication Title: Journal of Chemical Physics
  • Volume: 110
  • Issue: 4
  • Page Start: 2069
  • Page End: 2073
  • Peer Reviewed: Yes

Collections

This article is part of the following collection of related materials.

UNT Scholarly Works

Materials from the UNT community's research, creative, and scholarly activities and UNT's Open Access Repository. Access to some items in this collection may be restricted.

About | Browse this Collection

What responsibilities do I have when using this article?

Digital Files

When

Dates and time periods associated with this article.

Creation Date

  • January 22, 1999

Added to The UNT Digital Library

  • July 9, 2015, 6:19 a.m.

Description Last Updated

  • Dec. 7, 2023, 11:02 a.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 0
Total Uses: 45
More Statistics

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

Thumbnail image of item number 1 in: 'A computational study of the enthalpies of formation of halomethylidynes'.
Thumbnail image of item number 2 in: 'A computational study of the enthalpies of formation of halomethylidynes'.
Thumbnail image of item number 3 in: 'A computational study of the enthalpies of formation of halomethylidynes'.
Thumbnail image of item number 4 in: 'A computational study of the enthalpies of formation of halomethylidynes'.

PDF Version Also Available for Download.

Citations, Rights, Re-Use

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Links for Robots

Helpful links in machine-readable formats.

Archival Resource Key (ARK)

International Image Interoperability Framework (IIIF)

Metadata Formats

Images

URLs

Stats

Marshall, Paul; Misra, Ashutosh & Schwartz, Martin. A computational study of the enthalpies of formation of halomethylidynes, article, January 22, 1999; [College Park, Maryland]. (https://digital.library.unt.edu/ark:/67531/metadc674054/: accessed April 23, 2024), University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu; crediting UNT College of Arts and Sciences.

Back to Top of Screen