Atmospheric chemistry of isopropyl formate and tert-butyl formate Metadata

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Title

  • Main Title Atmospheric chemistry of isopropyl formate and tert-butyl formate

Creator

  • Author: Pimentel, Andre Silva
    Creator Type: Personal
    Creator Info: Pontifícia Universidade Católica de Rio de Janeiro
  • Author: Tyndall, Geoffrey S. (Geoffrey Stuart) 1955-
    Creator Type: Personal
    Creator Info: National Center for Atmospheric Research
  • Author: Orlando, John J.
    Creator Type: Personal
    Creator Info: National Center for Atmospheric Research
  • Author: Hurley, Michale D.
    Creator Type: Personal
    Creator Info: Ford Motor Company
  • Author: Wallington, Timothy J.
    Creator Type: Personal
    Creator Info: Ford Motor Company
  • Author: Sulbaek Andersen, Mads Peter
    Creator Type: Personal
    Creator Info: University of California, Irvine
  • Author: Marshall, Paul
    Creator Type: Personal
    Creator Info: University of North Texas
  • Author: Dibble, Theodore S.
    Creator Type: Personal
    Creator Info: State University of New York

Publisher

  • Name: John Wiley & Sons
    Place of Publication: [Hoboken, New Jersey]

Date

  • Submission Date: 2009-08-21
  • Acceptance Date: 2010-03-03
  • Creation: 2010-06-09

Language

  • English

Description

  • Content Description: Article on the atmospheric chemistry of isopropyl formate and tert-butyl formate.
  • Physical Description: 20 p.

Subject

  • Keyword: formates
  • Keyword: oxidation
  • Keyword: esters

Source

  • Journal: International Journal of Chemical Kinetics, 2010, Hoboken: John Wiley & Sons, pp. 479-498

Citation

  • Publication Title: International Journal of Chemical Kinetics
  • Volume: 42
  • Issue: 8
  • Page Start: 479
  • Page End: 498
  • Pages: 20
  • Peer Reviewed: True

Collection

  • Name: UNT Scholarly Works
    Code: UNTSW

Institution

  • Name: UNT College of Arts and Sciences
    Code: UNTCAS

Rights

  • Rights Access: public

Resource Type

  • Article

Format

  • Text

Identifier

  • DOI: 10.1002/kin.20498
  • Archival Resource Key: ark:/67531/metadc501407

Degree

  • Academic Department: Chemistry
  • Academic Department: Center for Advanced Scientific Computing and Modeling

Note

  • Display Note: Abstract: Formates are produced in the atmosphere as a result of the oxidation of a number of species, notably dialkyl ethers and vinyl ethers. This work describes experiments to define the oxidation mechanisms of isopropyl formate, HC(O)OCH(CH3)2, and tert-butyl formate, HC(O)OC(CH3)3. Product distributions are reported from both Cl- and OH-initiated oxidation, and reaction mechanisms are proposed to account for the observed products. The proposed mechanisms include examples of the α-ester rearrangement reaction, novel isomerization pathways, and chemically activated intermediates. The atmospheric oxidation of isopropyl formate by OH radicals gives the following products (molar yields): acetic formic anhydride (43%), acetone (43%), and HCOOH (15–20%). The OH radical initiated oxidation of tert-butyl formate gives acetone, formaldehyde, and CO2 as major products. IR absorption cross sections were derived for two acylperoxy nitrates derived from the title compounds. Rate coefficients are derived for the kinetics of the reactions of isopropyl formate with OH (2.4 ± 0.6) × 10−12, and with Cl (1.75 ± 0.35) × 10−11, and for tert-butyl formate with Cl (1.45 ± 0.30) × 10−11 cm3 molecule−1 s−1. Simple group additivity rules fail to explain the observed distribution of sites of H-atom abstraction for simple formates.
  • Display Note: Copyright © 2010 Wiley Periodicals, Inc.