Table of the Spectral Regions and Compounds Included in the Spectral Subtraction Procedures

Table of the Spectral Regions and Compounds Included in the Spectral Subtraction Procedures

<p>This journal is © The Owner Societies 2001</p><p>Table S1 Table of the spectral regions and compounds included in the spectral subtraction procedures.</p><p>NO3 reactions OH reactions Compound Formula Wavenumber Compounds included in Wavenumber Compounds included in region /cm-1 spectral subtraction region /cm-1 spectral subtraction</p><p>Acetaldehyde CH3CHO 2760-2670 formaldehyde, propanal 3140-3080 formaldehyde, propanal</p><p>Propanal CH3CH2CHO 2760-2670 formaldehyde, acetaldehyde 2740-2670 formaldehyde, acetaldehyde</p><p>Butanal CH3CH2CH2CHO 2750-2680 formaldehyde, propanal 2750-2670 formaldehyde, propanal, acetaldehyde</p><p>Pentanal CH3CH2CH2CH2CHO 2750-2680 formaldehyde, butanal, 2750-2670 formaldehyde, propanal, propanal butanal</p><p>Hexanal CH3CH2CH2CH2CH2CHO 2750-2680 formaldehyde, pentanal, 2750-2680 formaldehyde, propanal, propanal pentanal</p><p>2-Methyl-propanal CH3CH(CH3)CHO 2750-2680 formaldehyde, propanal 2740-2670 formaldehyde, propanal</p><p>2,2-Dimethyl-propanal CH3C(CH3)2CHO 2730-2660 formaldehyde, propanal 2730-2660 formaldehyde, propanal</p><p>3,3-dimethyl-butanal CH3C(CH3)2CH2CHO 2760-2670 formaldehyde, propanal 2760-2680 formaldehyde, propanal , 2,2-dimethyl-propanal</p><p>2-Methyl-butanal CH3CH2CH(CH3)CHO 2740-2670 formaldehyde, propanal 2740-2670 formaldehyde, propanal, acetaldehyde</p><p>3-Methyl-butanal CH3CH(CH3)CH2CHO 2750-2680 formaldehyde, propanal, 2750-2680 formaldehyde, propanal, 2-methyl-propanal 2-methyl-propanal</p><p>2-Methyl-pentanal CH3CH2CH2CH(CH3)CHO 2740-2680 formaldehyde, propanal 2740-2680 formaldehyde, propanal</p><p>3-Methyl-pentanal CH3CH2CH(CH3)CH2CHO 2740-2680 formaldehyde, propanal, 2740-2680 formaldehyde, propanal, 2-methyl-butanal 2-methyl-butanal</p><p>4-Methyl-pentanal CH3CH(CH3)CH2CH2CHO 2740-2690 formaldehyde, propanal, 2740-2690 formaldehyde, propanal, 3-methyl-butanal 3-methyl-butanal</p><p>2-Ethyl-butanal CH3CH2CH(C2H5)CHO 2740-2675 formaldehyde, propanal 2740-2660 formaldehyde, propanal</p><p>Propene CH2CH=CH2 940-900 N2O5, NO2,~ PAN 940-880 Methylnitrite, PAN, HNO3</p><p>But-1-ene CH3CH2CH=CH2 3140-3070 N2O5, H2O 3140-3070 H2O, 2PN or methylnitrite This journal is © The Owner Societies 2001</p><p>Figure S1. Plots of ln{[ald]0/[ald]t} vs. ln{[ref]0/[ref]t} for the decays of aldehydes and reference compounds during reaction with NO3. Different symbols indicate independent experiments. Errors quoted are the 3 statistical errors. (A) Acetaldehyde: 38 data points, five</p><p> experiments, krel = 0.194  0.021; (B) Propanal: 34 data points, four experiments, krel = 0.65</p><p> 0.06; (C) Butanal: 49 data points, four experiments, krel = 0.91  0.08; (D) Pentanal: 41</p><p> data points, four experiments, krel = 1.27  0.16; (E) Hexanal: 41 data points, four</p><p> experiments, krel = 1.14  0.14; (F) 2-Methylpropanal: 37 data points, four experiments, krel</p><p>= 0.93  0.10; (G) 2,2-Dimethylpropanal: 31 data points, three experiments, krel = 1.92 </p><p>0.16; (H) 2-Methylbutanal: 20 data points, two experiments, krel = 1.98  0.08; (I) 3-</p><p>Methylbutanal: 15 data points, two experiments, krel = 1.38  0.06; (L) 3,3–</p><p>Dimethylbutanal: 24 data points, two experiments, , krel = 1.27  0.10; (M) 2-</p><p>Methylpentanal: 19 data points, two experiments, krel = 1.99  0.08; (N) 3-Methylpentanal:</p><p>23 data points, two experiments, krel = 1.78  0.06; (O) 4-Methylpentanal: 23 data points,</p><p> three experiments, krel = 1.25  0.07; (P) 2-Ethylbutanal: 22 data points, two experiments,</p><p> krel = 3.31  0.07.</p><p>Figure S2. Plots of ln{[ald]0/[ald]t} vs. ln{[ref]0/[ref]t} for the decays of aldehydes and reference compounds during reaction with OH. Different symbols indicate independent experiments. Errors quoted are the 3 statistical errors. (A) Acetaldehyde: 19 data points, three</p><p> experiments, krel = 0.458  0.024; (B) Propanal: 23 data points, four experiments, krel = 0.72</p><p> 0.06; (C) Butanal: 20 data points, three experiments, krel = 0.76  0.05; (D) Pentanal: 18</p><p> data points, three experiments, krel = 0.83  0.04; (E) Hexanal: 6 data points, one</p><p> experiment, krel = 0.91  0.04; (F) 2-Methylpropanal: 16 data points, two experiments, krel =</p><p>0.85  0.07; (G) 2,2-Dimethylpropanal: 26 data points, three experiments, krel = 0.85 </p><p>0.04; (H) 2-Methylbutanal: 21 data points, three experiments, krel = 1.04  0.03; (I) 3-</p><p>Methylbutanal: 16 data points, two experiments, krel = 0.889  0.023; (L) 3,3 –</p><p>Dimethylbutanal: 28 data points, three experiments, krel = 0.68  0.05; (M) 2-</p><p>Methylpentanal: 16 data points, two experiments, krel = 1.06  0.07; (N) 3-Methylpentanal:</p><p>13 data points, two experiments, krel = 0.93  0.05; (O) 4-Methylpentanal: 13 data points,</p><p> two experiments, krel = 0.84  0.03; (P) 2-Ethylbutanal: 12 data points, two experiments, krel = 1.28  0.13. This journal is © The Owner Societies 2001</p><p>Figure S1.</p><p>0.6 1.5 } t } } ] t t 0.4 ] ] l l e a</p><p>A B a d n n C y a a t h p 1.2 e u o r d b l [ p / a [ 0 t ] / l 0 e ] l a c a n 0.3 a 0.4 n [ a / t a 0 ] u p e 0.9 b o d [ r y { p h [ n e l { d n l l</p><p> a t</p><p>0.2 e c</p><p> a 0.6 [ { n</p><p> l 0.2</p><p>0.1 0.3</p><p> ln{[but-1-ene] /{[but-1-ene] } ln{[propene] /[propene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0 t 0.0 0.0 0.0 0.0 0.5 1.0 1.5 2.0 0.0 0.2 0.4 0.6 0.8 0.0 0.3 0.6 0.9 1.2 1.5 1.8</p><p>2.0 } ] t l</p><p>0.9 a } t n ] l } E a t D ]</p><p> a F l 1.6 p n a o a r n</p><p>1.6 x p a l t e y n h [ h e / t 0 p ] e [ l / a 0 ] m l n - a a 1.2 2 [ n x / a ]</p><p> e 0.6 0</p><p>1.2 l t h a n [ n e { a p n [ l p {</p><p> o</p><p> r n l p l</p><p>0.8 y</p><p>0.8 h t e m -</p><p>0.3 2 [ { n 0.4 l 0.4</p><p> ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0 t 0.0 0.0 0.0 0.0 0.3 0.6 0.9 1.2 1.5 0.0 0.4 0.8 1.2 1.6 0.0 0.3 0.6 0.9</p><p>1.6 } ] t l } ] t }</p><p>1.0 t a ] l l a n a a n n a p t G a t o u H r I u b 0.6 l p b l y l y h y t h h</p><p>0.8 e t</p><p>1.2 t e e M - m m i 2 - [ d / ] 3 0 - l [ / 2 a ] 0 , n l 2 a a 0.6 [ t / n ]</p><p> u 0.4 0 l a b t a l</p><p> u y n 0.8 h b a t l p e y o h r M t - p e l 2</p><p>0.4 [ y m { - h n t 3 l e [ {</p><p> m 0.2 i n</p><p>0.4 l d - 2 0.2 , 2 [ { n l ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0 t 0.0 0.0 0.0 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.0 0.2 0.4 0.6 0.8 0.0 0.1 0.2 0.3 0.4 0.5</p><p>} ] t</p><p>1.5 l a } t n } ] t ] l a l t a a u n n b a 0.9 a l t L t N</p><p> y 1.2 n M n e h e t p</p><p>1.2 p l e l y y m h i h t t d e e - m 3 m , - - 2 3 3 [ [ / / [ ] 0 0 /</p><p>0.9 l ] ] 0 l l</p><p> a 0.6 a 0.8 a n n n a t a a</p><p> t t u n n b e e l p y p l l h y y 0.6 t h e h t t e m e i m m d - - - 2 0.3 3</p><p>3 0.4 [ , [ { 3 { n [ l n</p><p>0.3 { l n l</p><p> ln{[but-1-ene] /[but-1-ene] } 0 t ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0.0 0.0 0.0 0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.0 0.2 0.4 0.6 0.0 0.2 0.4 0.6</p><p>1.6 } } t ] ] t 1.6 l l a a n n P a a O t t u n e b l</p><p>1.2 p l y y h t h e t -</p><p> e 1.2 2 [ m / - ] 0 l 4 a [ / n ] 0 l a a t</p><p>0.8 n u a b t l n 0.8 y e h t p l e - y 2 h [ t e { n m l - 4</p><p>0.4 [</p><p>{ 0.4 n l</p><p> ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0.0 0.0 0.0 0.3 0.6 0.9 1.2 0.0 0.1 0.2 0.3 0.4 0.5 This journal is © The Owner Societies 2001</p><p>Figure S2.</p><p>0.8 } t ] } } ] t l t ] e 1.0 a l a d n a y n a p h</p><p>A t e o B u r d C l b p</p><p>0.9 [ a [ / / t 0 ] 0 ] e l l</p><p> c 0.8 a 0.6 a a n n [ a / a ] t 0 p e u o d b r [ y p { h [ e n { l d</p><p>0.6 n l l</p><p> a 0.6 t</p><p>0.4 e c a [ {</p><p> n</p><p> l 0.4</p><p>0.3 0.2 0.2</p><p> ln {[but-1-ene] /[but-1-ene] } ln{[propene] /[propene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0 t 0.0 0.0 0.0 0.0 0.4 0.8 1.2 1.6 0.0 0.3 0.6 0.9 1.2 1.5 0.0 0.3 0.6 0.9 1.2</p><p>} ] t l</p><p>} 1.2 t a ] l n } t a ] a l n p a</p><p> a 0.8</p><p>0.9 o t F n E D r a n p e x l e p y / h 0 ] h [ l t / a 0 e ] l</p><p> n 0.9 a m a - t n 2 n a 0.6 [ e x / ] 0 l e p</p><p>0.6 [ a h { [ n { a n l p n l o</p><p> r</p><p>0.6 p l</p><p>0.4 y h t e</p><p>0.3 m - 2 [ { n</p><p>0.3 l 0.2 </p><p> ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0.0 ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0.0 0.0 0.0 0.3 0.6 0.9 1.2 0.0 0.3 0.6 0.9 1.2 0.0 0.2 0.4 0.6 0.8 1.0</p><p>1.6 } ] t } l ] t l ] } a t l a n a n a n a 1.2 t a p u 0.8 t o H b I G u l r b y p l l h y t y h e h 1.2 t t e m e - M m 3 - - [ / ] 2 2 0 l</p><p>0.6 [ [ / / ] a ] 0 0 l l n a</p><p> a 0.8 a n t n a u a t b p u l o 0.8 b y</p><p> r l h p y t l h e y</p><p>0.4 t h e m t - e M 3 - [ m - 2 { [ n 2 l</p><p>[ { 0.4</p><p>{ n l</p><p> n 0.4</p><p> l 0.2 </p><p> ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0.0 0.0 0.0 0.0 0.2 0.4 0.6 0.8 1.0 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 0.0 0.3 0.6 0.9 1.2 1.5</p><p>1.6 1.4 ] } t l } 0.8 ] t a l a n } ] t l a n t</p><p>1.4 a a t u n n b a 1.2 l t</p><p>M e</p><p> y N L n p l e h t y p e</p><p>1.2 l h t y m e h</p><p>0.6 i</p><p> t 1.0 d m e - - 3 m 3 ,</p><p>1.0 - [ / 3 ] 2 0 l [ [ / ] a / 0 l ] 0 l n a 0.8 a a n t n a n a t 0.8 t</p><p> e u</p><p>0.4 n p b l e l y p y</p><p> l 0.6 h h t y t e</p><p> e 0.6 h t m e m - i m 3 d [ - - {</p><p>2 0.4 3 , [ 0.4 n l 0.2 3 {</p><p>[ n l {</p><p> n l 0.2 0.2 ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0 t 0.0 0.0 0.0 0.0 0.2 0.4 0.6 0.8 1.0 1.2 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4</p><p>1.2 1.4 } ] t } ] t l l a a n n a a t t u n 1.2 P b e O l p y l h y</p><p>0.9 t h e t - e</p><p>1.0 2 [ m / ] - 0 l 4 a [ / n ] 0 l a t a u n 0.8 a b t l n 0.6 y</p><p> e h t p l e - y 0.6 2 h [ t e { n m l</p><p>- 4 [ 0.4 {</p><p>0.3 n l</p><p>0.2 ln{[but-1-ene] /[but-1-ene] } ln{[but-1-ene] /[but-1-ene] } 0 t 0 t 0.0 0.0 0.0 0.2 0.4 0.6 0.8 1.0 1.2 0.0 0.2 0.4 0.6 0.8 1.0</p>

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