OH, Cl, and Br Reaction Rate Coefficients with Octanal and Nonanal

Maria-Areti I. Spanoudaki published a dataset on figshare in 2026 containing measured gas-phase reaction rate coefficients. The data includes Arrhenius expressions for OH radical reactions with octanal (273–370 K) and nonanal (296–370 K), and rate coefficients for Cl and Br atom reactions with nonanal and pentanal at 295 K. It also provides a site-specific branching ratio for nonanal aldehydic H-atom abstraction.

Use Cases

• Calibrating atmospheric chemistry models based on measured Arrhenius expressions for OH + aldehyde reactions.
• Validating structure-activity relationship (SAR) parametrizations using the provided rate coefficients for multiple oxidants (OH, Cl, Br).
• Analyzing reactivity trends of n-aldehydes for mechanistic studies of oxidation pathways.

Strengths

• Provides specific rate coefficients with quoted uncertainties (e.g., k1(296 K) = (3.33 ± 0.30) × 10^–11 cm³ molecule^–1 s^–1).
• Includes temperature-dependent Arrhenius expressions for two key reactions across a defined temperature range (273–370 K).
• Reports a site-specific branching ratio for nonanal (66 ± 8%) derived from experiments with excess NO₂.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• The dataset is small (57.5 KB), indicating a limited scope focused on specific experimental results.

Provenance

Source

Maria-Areti I. Spanoudaki via figshare.

Collection Method

Rate coefficients measured using pulsed laser photolysis–laser-induced fluorescence and relative rate methods with FTIR detection.

Time Range

Experimental data covers temperatures from 273 K to 370 K.

Freshness

Last updated 2026-06-04 01:29:26; freshness should be verified.