Published papers on project 1-07-226

• Paper in journal 0
  
• Ph.D. 1
  
• M.A. 2
  
• Mentorship 3
  

1. Type of paper: Paper in journal
   

   Title: Confirmation of the H-Bridged Structure of the 2-Butyl Cation by Comparison of Experimental and Ab Initio IR Frequencies
   

   Authors:

   Buzek, Peter

   Schleyer, Paul von Rague

   Sieber, Stefan

   Koch, Wolfram

   Carneiro, J. W. de M.

   Vančik, Hrvoj (91661)

   Sunko, Dionis (45491)

   Journal: J. Chem. Soc., Chem. Commun.
   Volume: 1991
   Year: 1991
   Pages: from 671 to 674
   Language: engleski
   Summary: The IR spectrum of the 2-butyl cation, measured at -125 ĄC in anSbF5 matrix and calculated ab initio (MP2(FULL)/6-31G*), ischaracterized by a C(H)C peak at 2175 cm-1 assigned to thenonclassical H-bridged (C2-symmetry) structure.
   Keywords: 2-butyl cation, IR spectrum, matrix isolation, ab initio calculation
   

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2. Type of paper: Paper in journal
   

   Title: Isolation and the IR Spectra of Chloro- and Bromo-ethyl Cations an Cryogenic SbF5 Matrices
   

   Authors:

   Vančik, Hrvoj (91661)

   Percač, Ksenija

   Sunko, Dionis (45491)

   Journal: J. Chem. Soc., Chem. Commun.
   Volume: 1991
   Year: 1991
   Pages: from 807 to 809
   Language: engleski
   Summary: Reaction of MeCHCl2, CH2ClCH2Cl and CH2BrCH2Br respectively withSbF5 in a solid matrix at 77-200 K affords the most stableacyclic chloro-ethyl and cyclic bromo-ethyl cations as predictedby previously published high-level ab initio calculations.
   Keywords: chloroethyl cation, bromoethyl cation, matrix isolation, IR spectroscopy
   

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3. Type of paper: Paper in journal
   

   Title: Characteristic Frequencies of Hydrogen-Bridged Carbocations. IR-Spectra and Ab Initio Calculations of the Nonclassical Structures of the Cyclooctyl Cation
   

   Authors:

   Buzek, Peter

   Schleyer, Paul von Rague

   Vančik, Hrvoj (91661)

   Sunko, Dionis (45491)

   Journal: J. Chem. Soc., Chem. Commun.
   Volume: 1991
   Year: 1991
   Pages: from 1538 to 1540
   Language: engleski
   Summary: The symmetrically H-bridged structure of the cyclooctyl cation isconfirmed definitively by the characteristic IR vibration at 1845cm-1 and by the agreement of the IGLO chemical shifts calculatedwith MP2/6-31G* geometry of the chair-boat (Cs) comformation withthe experimental MNR values.
   Keywords: cyclooctyl cation, hydrogen-bridged cations, IR spectra, ab initio calculations
   

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4. Type of paper: Paper in journal
   

   Title: Vibrational Spectra of C5H7+ Isomers in Low-temperature Antimony Pentafluoride Matrices.
   

   Authors:

   Vančik, Hrvoj (91661)

   Gabelica, Vesna

   Sunko, Dionis (45491)

   Buzek, Peter

   Schleyer, Paul von Rague

   Journal: J. Phys. Org. Chem.
   Volume: 6
   Year: 1993
   Pages: from 427 to 431
   Language: engleski
   Summary: The IR spectra of isomeric bicyclobutonium (1), delocalizedcyclopropylcarbinyl (2) and 1-methylallyl (3) cations wererecorded at 180 K in SbF5 matrices. Cations 1 and 2 generatedfrom cyclopropylcarbinyl and cyclobutyl chloride, respectively,rearrange to 3 at temperatures above 230 K. The structures 1, 2and 3 were confirmed by comparison of the recorded frequencieswith the MP2/6-31G* -calculated values. These results are inaccord with prediction that ions 1 and 2 are rapidlyequilibrating non-classical structures.
   Keywords: cyclopropylcarbinyl cation, bicyclobutonium cation, IR spectrum, ab initio calculation
   

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5. Type of paper: Ph.D.
   

   Title: Infrared Spectroscopy of C4H7+ Ions in Cryogenic Matrices
   Faculty: Prirodoslovno-matematički Zagreb
   Date of defense: 05/14/93
   Language: hrvatski
   Number of pages: 91
   Summary: The structures of C4H7+ ions have been studied on the basis oftheir IR spectra recorded in cryogenic antimony pentafluoridematrices. Nonclassical bicyclobutonium ion has been investigatedin detail. In addition, the influence of the methyl groupsubstitution on the stability of the bicyclobutonium ion has beenstudied. The spectra have been compared with the ones calculatedby a high level ab initio method.
   Keywords: cyclopropylcarbinyl cation, bicyclobutonium cation, IR spectrum, ab initio calculation
   

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6. Type of paper: M.A.
   

   Title: Activated Nitriles in Cryogenic Antimony(V)-fluoride Matrices
   Faculty: Prirodoslovno-matematički Zagreb
   Date of defense: 02/26/93
   Language: hrvatski
   Number of pages: 52
   Summary: Complexes of nitriles with SbF5 were investigated by IRspectroscopy in the solid matrices. The unexpected up frequencyshift of the CN stretching vibration was studied. These frequencychanges were compared with the frequency changes observed for theother vibrations in the nitrile molecule.
   Keywords: nitriles, antimony pentafluoride, complexes, IR spectrum
   

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7. Type of paper: M.A.
   

   Title: Isolation, FT-IR Spectroscopy and Reactions of Chloroalkyl Cations in Cryogenic Matrices
   Faculty: Prirodoslovno-matematički Zagreb
   Date of defense: 03/08/93
   Language: hrvatski
   Number of pages: 51
   Summary: The structures of chlorosubstituted carbocations have beenstudied on the basis of their IR spectra recorded in cryogenicantimony(V) fluoride matrices. The isodesmic reactions of in situprepared trichloromethyl cation with aliphatic and aromatichydrocarbons have been investigated. In addition, thetrichloromethyl cation has been shown to be an axcellent reagentfor the generation of carbocations from correspondinghydrocarbons under these superacid conditions.
   Keywords: trichloromethyl cation, chloronium ions, chloroalkyl cations, IR spectrum, antimony pentafluoride, isodesmic reactions, matrix isolation
   

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8. Type of paper: Mentorship
   

   Title: Infrared Spectroscopy of C4H7+ Ions in Cryogenic Matrices
   Faculty: Prirodoslovno-matematički Zagreb
   Mentor: ADLER NEVENKA
   Date of defense: 05/14/93
   Number of pages: 91
   Author: Gabelica Vesna
   Degree level: Ph.D.
   

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9. Type of paper: Mentorship
   

   Title: Activated Nitriles in Cryogenic Antimony(V)-fluoride Matrices
   Faculty: Prirodoslovno-matematički Zagreb
   Mentor: ADLER NEVENKA
   Date of defense: 02/26/93
   Number of pages: 52
   Author: Hoti Ramiz
   Degree level: M.A.
   

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10. Type of paper: Mentorship
    

    Title: Isolation, FT-IR Spectroscopy and Reactions of Chloroalkyl Cations in Cryogenic Matrices
    Faculty: Prirodoslovno-matematički Zagreb
    Mentor: ADLER NEVENKA
    Date of defense: 03/18/93
    Number of pages: 51
    Author: Percač Ksenija
    Degree level: M.A.
    

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