Erratum: Cluster formation of hydrogen cyanide in solid and liquid CCl4 matrices [J. Chem. Phys. <b>8</b>
                  <b>5</b>, 4881 (1986)]

Knözinger, Erich; Kollhoff, H.; Langel, Walter

doi:10.1063/1.452780

Cited by 9 publications

(16 citation statements)

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“…Contrary to the described theoretical predictions and to the experimental observations in molecular beams, cyclic HCN clusters have so far not been identified in liquid solutions of HCN [8] nor in cryogenic matrices prepared by gasphase codeposition of HCN with rare gas or nitrogen [9,10]. The difficulty in assigning the respective IR matrix spectra consists in the superimposition of the spectral contributions of diverse isolated species.…”

Section: Introductionmentioning

confidence: 80%

“…From previous experiments a rigorous assignment may be derived for small linear species: monomers, dimers and trimers (Table 4). Only monomers and dimers were observed in liquid CCI 4 [8]. In plastic crystalline CCI 4 the linear trimer also appears to be stable [8].…”

Section: Corroborated Assignment Of Ch Stretching Vibrations Of Hcn Cmentioning

confidence: 91%

“…On the other hand, extremely reliable IR matrix data on hydrogen cyanide are available, namely, those related to the monomer, the linear dimer and to the cyclic trimer [9][10][11][12][13]. Unambiguous IR spectroscopic evidence for the presence of linear HCN trimers was obtained in plastic crystalline CCl 4 environment [8]. Large HCN clusters may be assessed in the light of Raman studies of pure solid HCN [14].…”

Section: Introductionmentioning

confidence: 99%

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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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Section: Introductionmentioning

confidence: 80%

Section: Corroborated Assignment Of Ch Stretching Vibrations Of Hcn Cmentioning

confidence: 91%

Section: Introductionmentioning

confidence: 99%

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HCN Clusters in Molecular Beams and Cryogenic Matrices

Beichert

Pfeiler

Knözinger

1995

Ber Bunsenges Phys Chem

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“…Low temperature matrix isolation studies have scanned intramolecular stretching [28-31, 33, 34] and bending regions [28][29][30][31]. Far infrared investigations in different matrices on low lying intermolecular modes are also available [28,[32][33][34]. The qualitative picture emerging both from SCF [42,43] and our CPF calculations agrees well with the experimentally observed trends in the vapour phase and by matrix spectroscopy as far as intramolecular modes are concerned (o91-o96)-The CPF results for o9s and o99 are also in close agreement with the gas phase data.…”

Section: Vibrational Frequencies and Infrared Intensitiesmentioning

confidence: 99%

“…Microwave spectra of (HCN)3 are currently being studied [23]. Vibrational spectra of (HCN) 2 and of larger clusters have been investigated in the vapour phase and by matrix isolation spectroscopy [28][29][30][31][32][33][34]. The recent high resolution FTIR, PARS and CARS studies on (HCN)2 and (HCN)3 by Maroncelli et al 1,26,27] have allowed an approximate determination of infrared and Raman intensities in the region of C~-N vibrations.…”

Section: Introductionmentioning

confidence: 99%

Ab initiostudies on structure, vibrational spectra and infrared intensities of HCN, (HCN)₂and (HCN)₃

1987

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Equilibrium structure, harmonic force field and dipole moment derivatives of HCN and (HCN)2 were investigated with the aid of ab initio methods applying extended basis sets and including electron correlation at the CPF level. Vibrational spectra and infrared intensities of HCN, (HCN)2 and of several isotopically substituted species are reported. Using our previous SCF calculations on (HCN)3 as a starting point a more approximate treatment of correlation effects on structure, vibrational spectra and infrared intensities of (HCN)3 was carried out. For the linear trimer (HCN)3 we predict a structure with two nearly equal intermolecular distances in qualitative agreement with SCF results. Infrared intensities of individual modes change dramatically upon complex formation. Besides the expected increase in the intensity of C-H vibrations involved in hydrogen bonding, particularly strong intensity enhancements were observed for C--'--N vibrations in the dimer and trimer in agreement with experimental data by Maroncelli et al. and with the known CmN intensity in solid HCN.

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Stabilisierung eines Blausäure‐Dimers mit einer Lewis‐Säure

et al. 2018

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Das hoch labile Dimer vom Cyanwasserstoff, HCN···HCN,wurde aus flüssigem HCN durch Adduktbildung mittels einer sterischanspruchsvollen Lewis-Säure B(C 6 F 5 ) 3 als HCN···HCN-B(C 6 F 5 ) 3 extrahiert und vollständig charakterisiert. Der Einfluss verschiedener Lçsungsmittel (HCN,CH 2 Cl 2 und aromatische Kohlenwasserstoffe) auf den Kristallisationsprozess wurde untersucht. Dimerbildung wurde beobachtet, wenn HCN oder CH 2 Cl 2 als Lçsungsmittel verwendet wurden,w ohingegen der Einsatz von aromatischen Kohlenwasserstoffen zur Bildung von monomeren Aren···HCN-B(C 6 F 5 ) 3 -Addukten führte,d ie über eine h 6 -Koordination des aromatischen Ringsystems stabilisiert sind und dadurchd en bekannten Halbsandwichkomplexen ähneln. Schema 1. Synthese von HCN (H = 1 Hoder 2 H( D); 1 = 1H oder 1D) und Abfangreaktion von HCN···HCN durch Adduktbildung.

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Erratum: Cluster formation of hydrogen cyanide in solid and liquid CCl4 matrices [J. Chem. Phys. 8 5, 4881 (1986)]

Cited by 9 publications

References 0 publications

HCN Clusters in Molecular Beams and Cryogenic Matrices

HCN Clusters in Molecular Beams and Cryogenic Matrices

Ab initiostudies on structure, vibrational spectra and infrared intensities of HCN, (HCN)₂and (HCN)₃

Stabilisierung eines Blausäure‐Dimers mit einer Lewis‐Säure

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Erratum: Cluster formation of hydrogen cyanide in solid and liquid CCl4 matrices [J. Chem. Phys. 8 5, 4881 (1986)]

Cited by 9 publications

References 0 publications

HCN Clusters in Molecular Beams and Cryogenic Matrices

HCN Clusters in Molecular Beams and Cryogenic Matrices

Ab initiostudies on structure, vibrational spectra and infrared intensities of HCN, (HCN)2and (HCN)3

Stabilisierung eines Blausäure‐Dimers mit einer Lewis‐Säure

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Ab initiostudies on structure, vibrational spectra and infrared intensities of HCN, (HCN)₂and (HCN)₃