Polar isomer of formic acid dimers formed in helium nanodroplets

Madeja, Frank; Havenith, Martina; Nauta, Klaas; Miller, R. E.; Chocholoušová, Jana Vacek; Hobza, Pavel

doi:10.1063/1.1709942

Cited by 82 publications

(101 citation statements)

References 48 publications

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“…17−23 Several such dimers have been observed experimentally in the gas phase, 24−26 raregas matrices 17,20,27−31 and helium nanodroplets. 32 A number of mixed trans−cis dimeric structures were also predicted 17,23,33 and observed experimentally. 17,30,31 Most of the predicted trans−trans and trans−cis dimers have been prepared and identified in our matrix-isolation experiments.…”

Section: ■ Introductionmentioning

confidence: 77%

Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation

et al. 2012

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We report on the first experimental observation of formic acid dimers composed of two molecules of the higher-energy cis conformer. The cis−cis formic acid dimers are prepared in an argon matrix by selective vibrational excitation of the ground state trans conformer (deuterated form HCOOD) combined with thermal annealing of the matrix at about 30 K. Five cis−cis formic acid dimers are predicted by ab initio calculations (interaction energies from −16.9 to −27.2 kJ mol −1 ), and these structures are used for the assignment of the experimental spectra. Selective vibrational excitation of the obtained cis−cis dimers leads to the formation of several trans−cis dimers, which supports the proposed assignments.

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Section: ■ Introductionmentioning

confidence: 77%

Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation

et al. 2012

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“…The most dramatic example of this is the formation of long, polar complexes of HCN and HCCCN [224,78]. A more recent example is the exclusive formation of a "open" polar form of formic acid dimer [225]. Such barriers are particularly important when preformed hydrogen bonded rings must be broken up to reach the minimum energy structure for the next larger complex.…”

Section: Complex Formation In Helium Dropletsmentioning

confidence: 99%

Spectroscopy and dynamics in helium nanodroplets

Stienkemeier

Lehmann

2006

J. Phys. B: At. Mol. Opt. Phys.

397

555

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Abstract. This article provides a review of recent work in the field of helium nanodroplet spectroscopy with emphasis on the dynamical aspects of the interactions between molecules in helium as well as their interaction with this unique quantum solvent. Emphasis is placed on experimental methods and studies introducing recent new approaches, in particular including time-resolved techniques. Corresponding theoretical results on the energetics and dynamics of helium droplets are also discussed.

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“…[29][30][31][32][33] Evidence that helium nanodroplets trap the dimers in the acyclic (headto-tail) structure has recently come from an infrared spectroscopic study of formic acid dimers. 34 There is also prior evidence from formic acid monomers in argon matrices that the acyclic structure is a precursor to the cyclic structure as the matrix is annealed. 35 Most recently of all, comprehensive ab initio molecular dynamics calculations have been carried out on formic acid dimer formation.…”

Section: Anions With Attached Helium Atomsmentioning

confidence: 99%

Electron attachment and electron ionization of acetic acid clusters embedded in helium nanodroplets

Silva

Jaksch

Martins

et al. 2009

Phys. Chem. Chem. Phys.

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The effect of incident electrons on acetic acid clusters is explored for the first time. The acetic acid clusters are formed inside liquid helium nanodroplets and both cationic and anionic products ejected into the gas phase are detected by mass spectrometry. The cation chemistry (induced by electron ionization at 100 eV) is dominated by production of protonated acetic acid (Ac) clusters, Ac n H + , although some fragmentation is also observed. In the case of anion production (at 2.8 eV electron energy) there is a clear distinction between the monomer and the clusters. For the monomer the dominant product is the dehydrogenated species, [Ac-H] À , whereas for the clusters both the parent anion, Ac n À , and the dehydrogenated species, [Ac n -H] À , have similar abundances. A particularly intriguing contrast between the monomer and cluster anions is that helium atoms are seen attached to the latter whereas no evidence of helium atom attachment is found for the monomer. This surprising observation is attributed to the formation of acyclic (head-to-tail) acetic acid clusters in helium nanodroplets, which have more favourable electronic properties for binding helium atoms. The acyclic clusters represent a local minimum on the potential energy surface and in the case of the dimer this is distinct from the cyclic isomer (the global minimum) identified in gas phase experiments.

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Polar isomer of formic acid dimers formed in helium nanodroplets

Cited by 82 publications

References 48 publications

Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation

Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation

Spectroscopy and dynamics in helium nanodroplets

Electron attachment and electron ionization of acetic acid clusters embedded in helium nanodroplets

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