Supplemental information for article:
Clustering and Photochemistry of Freon CF2Cl2 on
Argon and Ice Nanoparticles
Viktoriya Poterya,† Jaroslav Kočišek,† Jozef Lengyel,†,¶ Pavla Svrčková,†,¶ Andriy
Pysanenko,† Daniel Hollas,‡ Petr Slavíček,‡,§ and Michal Fárník∗,†
J. Heyrovský Institute of Physical Chemistry, v.v.i., Academy of Sciences of the Czech
Republic,Dolejškova 3, 182 23 Prague 8, Czech Republic, and Department of Physical
Chemistry, Institute of Chemical Technology Prague, Technická 5, Prague 6, Czech Republic
E-mail: [email protected] Phone: +420 (0)2 6605 3206. Fax: +420 (0)2 8658 2307
*
To whom correspondence should be addressed
J. Heyrovský Institute of Physical Chemistry, Prague
‡
Department of Physical Chemistry, Institute of Chemical Technology Prague
¶
also at: Department of Physical Chemistry, Institute of Chemical Technology Prague
§
also at: J. Heyrovský Institute of Physical Chemistry, Prague
†
I. Reflectron TOF Mass spectra after electron ionization
I.1. Coexpansion of CF2Cl2 in Ar buffer gas
Figure SI1: Mass spectra of CF2Cl2 clusters generated in coexpansion with Ar buffer
gas at T0= 57C for different stagnation pressures P0= p(CFC/Ar). The spectra indicate
dramatic increase in cluster sizes with the stagnation pressure. The cluster series
corresponds to the fragments (CF2Cl2)n+, CFCl2(CF2Cl2)n-1+, CF2Cl(CF2Cl2)n-1+. No mixed
fragments with Ar have been detected (see below).
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I.2. Pickup of CF2Cl2 on large ArN clusters
Figure SI2: Mass spectra after (multiple) pickup of CF2Cl2 on ArN clusters (mean cluster
size N= 330) in dependence on the CF2Cl2 pressure in the pickup chamber p(CFC pickup).
The ArN+ peak series is accompanied by increasing series corresponding to (CF 2Cl2)n
clusters generated on ArN by coagulation. Besides the cluster series (CF2Cl2)n+,
CFCl2(CF2Cl2)n-1+, CF2Cl(CF2Cl2)n-1+ also mixed fragments with Ar are observed –this is
shown in detail below.
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Figure SI3: Detailed view of the mass spectra after (multiple) pickup of CF 2Cl2 on ArN
clusters (mean cluster size N= 330) in dependence on the CF2Cl2 pressure in the pickup
chamber p(CFC pickup). Note the decrease and eventually disappearance of Ar N+ peak
series corresponding to the neat ArN clusters. At the same time the series
corresponding to (CF2Cl2)n clusters generated on ArN clusters by coagulation is
increasing. The (CF2Cl2)n+, CFCl2(CF2Cl2)n-1+, CF2Cl(CF2Cl2)n-1+ fragments are also
accompanied by mixed series: ArNCl +, ArNCF2Cl +, ArNCFCl2+, suggesting the
generation of (CF2Cl2)n clusters on ArN by coagulation. More details are given in the text
with more detailed spectrum.
It is worth noting that the spectra from coexpansion in Figure SI1 do not contain any
mixed fragments suggesting the generation of pure (CF2Cl2)n clusters.
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II. Theoretical Calculations: Dimer Structures
Figure SI4: Structures of three distinct CFC· · ·H2O motifs (in parenthesis are the
interaction energies in meV). Also shown are the distances in Angstroms.
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Figure SI5: Structures of CFC· · ·CFC binary complexes (in parenthesis are the
interaction energies in meV). Also shown are the distances in Angstroms.
Figure SI6: Structures of CFC· · ·Ar binary complexes (in parenthesis are the
interaction energies in meV). Also shown are the distances in Angstroms.
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