Raman studies of solid hydrogen cyanide (HCN, DCN) and of HCN argon matrices

Müller, Beate; Lutz, H. D.; Hermeling, J.; Knözinger, Erich

doi:10.1016/0584-8539(93)80174-9

Cited by 5 publications

(3 citation statements)

References 16 publications

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“…The qualitative changes in the vibrational spectrum and PDOS for CF 4 as a function of dimensionality make the ν 3 mode an excellent probe of the effective dimensionality of adsorbed molecules. Our results agree with those of Devlin et al, who have previously proposed the use of ν 3 spectroscopy as a probe for 2D surface structure. , It should be possible to use other molecules that display LO−TO splitting, such as CCl 4 , HCN, , or meta -nitroaniline as probes of the effective dimensionality of an environment.…”

Section: Discussionsupporting

confidence: 92%

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Dimensional Effects on the LO−TO Splitting in CF₄: First-Principles and Infrared Absorption Studies

et al. 2005

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The development of longitudinal optical-transverse optical (LO-TO) modes in CF(4) has been studied experimentally and theoretically as a function of dimensionality. Infrared absorption experiments for CF(4) adsorbed on single-walled carbon nanotubes indicate a lack of LO-TO splitting at low coverage and a gradual appearance of LO-TO modes as the coverage of CF(4) on the nanotubes is increased. We have performed density functional perturbation theory calculations for the vibrational frequencies, IR absorption spectra, and phonon density of states for CF(4) in one, two, and three dimensions. The calculations demonstrate that LO-TO splitting in 1D is qualitatively different from that computed for 2D or the bulk. The magnitude of the splitting in 1D is about one-half that computed for the bulk, and the LO mode is very weakly blue-shifted in 1D. We predict that the phonon density of states changes dramatically as the dimensionality of the crystal is changed. This prediction can be tested experimentally via inelastic neutron scattering. We conclude that LO-TO splitting can be used as a probe to identify 1D states of matter.

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Section: Discussionsupporting

confidence: 92%

“…Our results agree with those of Devlin et al, who have previously proposed the use of ν 3 spectroscopy as a probe for 2D surface structure. 34,35 It should be possible to use other molecules that display LO-TO splitting, such as CCl 4 , HCN, 68,69 or meta-nitroaniline 70 as probes of the effective dimensionality of an environment.…”

Section: Discussionmentioning

confidence: 99%

Dimensional Effects on the LO−TO Splitting in CF₄: First-Principles and Infrared Absorption Studies

et al. 2005

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“…Nevertheless, HCN is known as a very weak organic acid, and therefore weakly releases protons in liquid water. A strong hydrogen bond is reported in HCN multimers and HCN molecular crystal, involving H and N atoms from adjacent molecules (Müller et al, 1993;Pacansky, 1977). Studies also report that a hydrogen bond is present in H 2 O and HCN dimers (Bernstein et al, 1997).…”

Section: The Hcn Moleculementioning

confidence: 92%

Kinetics of hydrogen/deuterium exchanges in cometary ices

Quirico

Fauré

Schmitt

et al. 2015

Icarus

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HCN Clusters in Molecular Beams and Cryogenic Matrices

Beichert

Pfeiler

Knözinger

1995

Ber Bunsenges Phys Chem

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Cluster formation of hydrogen cyanide (HCN) was traced by mass spectroscopy in molecular beams and by FTIR spectroscopy in cryogenic matrices in which the clusters were embedded. Both experiments provided evidence for the presence of linear (n ≥ 2) and cyclic structures (n ≥ 3) which were predicted by ab initio calculations as comparably stable. The mass spectra clearly reflect a fundamentally different behaviour of the two types of clusters within the expansion zone: the linear species exhibit the cabability of cluster growth, while the cyclic ones do not. This leads to a characteristic size distribution with two marked maxima. During matrix deposition, considerable distortions of the clusters are created which may be healed out by annealing. The resulting sharp bands in the CH stretching region were assigned in agreement with ab initio calculations and previous IR studies aiming at small linear and cyclic species (n ≤ 3) in diverse liquid and solid environments.

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Raman studies of solid hydrogen cyanide (HCN, DCN) and of HCN argon matrices

Cited by 5 publications

References 16 publications

Dimensional Effects on the LO−TO Splitting in CF₄: First-Principles and Infrared Absorption Studies

Dimensional Effects on the LO−TO Splitting in CF₄: First-Principles and Infrared Absorption Studies

Kinetics of hydrogen/deuterium exchanges in cometary ices

HCN Clusters in Molecular Beams and Cryogenic Matrices

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Raman studies of solid hydrogen cyanide (HCN, DCN) and of HCN argon matrices

Cited by 5 publications

References 16 publications

Dimensional Effects on the LO−TO Splitting in CF4: First-Principles and Infrared Absorption Studies

Dimensional Effects on the LO−TO Splitting in CF4: First-Principles and Infrared Absorption Studies

Kinetics of hydrogen/deuterium exchanges in cometary ices

HCN Clusters in Molecular Beams and Cryogenic Matrices

Contact Info

Product

Resources

About

Dimensional Effects on the LO−TO Splitting in CF₄: First-Principles and Infrared Absorption Studies

Dimensional Effects on the LO−TO Splitting in CF₄: First-Principles and Infrared Absorption Studies