Molecular Structures of Chloro(phthalocyaninato)-aluminum(III) and -gallium(III) as Determined by Gas Electron Diffraction and Quantum Chemical Calculations: Quantum Chemical Calculations on Fluoro(phthalocyaninato)-aluminum(III) and -gallium(III), Chloro(tetrakis(1,2,5-thiadiazole)porphyrazinato)-aluminum(III) and -gallium(III) and Comparison with their X-ray Structures

Tatyana Strenalyuk; Svein Samdal; Hans Vidar Volden

doi:10.1021/jp804105d

Molecular Structures of Chloro(phthalocyaninato)-aluminum(III) and -gallium(III) as Determined by Gas Electron Diffraction and Quantum Chemical Calculations: Quantum Chemical Calculations on Fluoro(phthalocyaninato)-aluminum(III) and -gallium(III), Chloro(tetrakis(1,2,5-thiadiazole)porphyrazinato)-aluminum(III) and -gallium(III) and Comparison with their X-ray Structures

The Journal of Physical Chemistry A ◽

10.1021/jp804105d ◽

2008 ◽

Vol 112 (38) ◽

pp. 9075-9082 ◽

Cited By ~ 18

Author(s):

Tatyana Strenalyuk ◽

Svein Samdal ◽

Hans Vidar Volden

Keyword(s):

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Molecular Structures ◽

Gas Electron Diffraction ◽

X Ray

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Structure and vibrational properties of ethyltrioxorhenium(vii), C2H5ReO3, investigated by gas electron diffraction, single crystal X-ray diffraction, IR spectroscopy and quantum chemical calculations

Journal of the Chemical Society Dalton Transactions ◽

10.1039/b204235p ◽

2002 ◽

pp. 3342 ◽

Cited By ~ 7

Author(s):

Anthony J. Downs ◽

Martin R. Geisberger ◽

Jennifer C. Green ◽

Tim M. Greene ◽

Arne Haaland ◽

...

Keyword(s):

Electron Diffraction ◽

Ir Spectroscopy ◽

Single Crystal ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Gas Electron Diffraction ◽

Vibrational Properties ◽

X Ray Diffraction ◽

X Ray

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Molecular structures and conformations of 4-fluoranisole and 3,4-difluoranisole: gas electron diffraction and quantum chemical calculations

Journal of Molecular Structure ◽

10.1016/j.molstruc.2004.06.002 ◽

2004 ◽

Vol 703 (1-3) ◽

pp. 55-62 ◽

Cited By ~ 16

Author(s):

Nina I Giricheva ◽

Georgiy V Girichev ◽

Julia S Levina ◽

Heinz Oberhammer

Keyword(s):

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Molecular Structures ◽

Gas Electron Diffraction

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Structure and Conformational Properties of Diacetyl Sulfide in the Gaseous and Condensed Phases Explored by Gas Electron Diffraction, Single-Crystal X-ray Diffraction, Vibrational Spectroscopy, and Quantum Chemical Calculations

Journal of the American Chemical Society ◽

10.1021/ja0117884 ◽

2001 ◽

Vol 123 (50) ◽

pp. 12623-12631 ◽

Cited By ~ 8

Author(s):

Rosana M. Romano ◽

Carlos O. Della Védova ◽

Anthony J. Downs ◽

Heinz Oberhammer ◽

Simon Parsons

Keyword(s):

Electron Diffraction ◽

Single Crystal ◽

Quantum Chemical Calculations ◽

Vibrational Spectroscopy ◽

Quantum Chemical ◽

Gas Electron Diffraction ◽

Condensed Phases ◽

X Ray Diffraction ◽

X Ray ◽

Conformational Properties

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Molecular structures of free quinuclidine and its adducts with metal trihydrides, MH3 (M = B, Al or Ga), studied by gas-phase electron diffraction, X-ray diffraction and quantum chemical calculations

Dalton Transactions ◽

10.1039/b701476g ◽

2007 ◽

pp. 1687 ◽

Cited By ~ 14

Author(s):

Derek A. Wann ◽

Frank Blockhuys ◽

Christian Van Alsenoy ◽

Heather E. Robertson ◽

Hans-J?rg Himmel ◽

...

Keyword(s):

Electron Diffraction ◽

Gas Phase ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Molecular Structures ◽

X Ray Diffraction ◽

X Ray ◽

Gas Phase Electron Diffraction

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Molecular structures, conformations, force fields and large amplitude motion of cis-3-chloro-2-propen-1-ol as studied by quantum chemical calculations and gas electron diffraction augmented with quantum chemical calculations on 2-propen-1-ol

Journal of Molecular Structure ◽

10.1016/j.molstruc.2008.12.036 ◽

2009 ◽

Vol 921 (1-3) ◽

pp. 72-79 ◽

Cited By ~ 4

Author(s):

Tor G. Strand ◽

Snefrid Gundersen ◽

Hanno Priebe ◽

Svein Samdal ◽

Ragnhild Seip

Keyword(s):

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Large Amplitude ◽

Quantum Chemical ◽

Force Fields ◽

Molecular Structures ◽

Gas Electron Diffraction ◽

Large Amplitude Motion

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Dative σ- and π-bonding in boron–nitrogen compounds: molecular structures of (CH3)2NB(CH3)N(CH3)B(CH3)2 and [(CH3)2B]2NN(CH3)2 determined by gas electron diffraction and quantum chemical calculations

Dalton Transactions ◽

10.1039/b500659g ◽

2005 ◽

pp. 2284 ◽

Cited By ~ 11

Author(s):

Kari-Anne Østby ◽

Grete Gundersen ◽

Arne Haaland ◽

Heinrich Nöth

Keyword(s):

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Molecular Structures ◽

Gas Electron Diffraction ◽

Nitrogen Compounds ◽

Boron Nitrogen

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The Structures of Difluorodiisocyanatomethane, CF2((NCO)2: X-ray Crystallography, Gas Electron Diffraction, and Quantum Chemical Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp0007181 ◽

2000 ◽

Vol 104 (30) ◽

pp. 7123-7128 ◽

Cited By ~ 2

Author(s):

Jürgen Buschmann ◽

Dieter Lentz ◽

Peter Luger ◽

Matthias Röttger ◽

Heinz Oberhammer

Keyword(s):

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Gas Electron Diffraction ◽

X Ray ◽

X Ray Crystallography

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Molecular Structure and Conformations of 2,2-Di-tert-butyl-1,3-diaza-2-silacyclopentane: Gas Electron Diffraction and Quantum Chemical Calculations

Inorganic Chemistry ◽

10.1021/ic0497836 ◽

2004 ◽

Vol 43 (11) ◽

pp. 3537-3542 ◽

Cited By ~ 5

Author(s):

Heinz Oberhammer ◽

Georgiy V. Girichev ◽

Nina I. Giricheva ◽

Alexander V. Krasnov ◽

Uwe Klingebiel

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Gas Electron Diffraction ◽

Tert Butyl

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Molecular structure of N-Trifluoroacetylpiperidine 1 and 4-Methylpyridine-N-Oxide studied by Gas Electron Diffraction and Quantum Chemical Calculations

Vietnam Journal of Chemistry ◽

10.1002/vjch.2019600039 ◽

2020 ◽

Vol 58 (2) ◽

pp. 139-144

Author(s):

Le Kim Long ◽

Tran Dinh Phien ◽

Nguyen Hoang Trang ◽

Belova Natalya Vytalevna

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Gas Electron Diffraction

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Structural and thermochemical studies of pyrrolidine borane and piperidine borane by gas electron diffraction and quantum chemical calculations

Structural Chemistry ◽

10.1007/s11224-020-01647-0 ◽

2020 ◽

Vol 32 (1) ◽

pp. 205-213

Author(s):

Aliyu M. Ja’o ◽

Derek A. Wann ◽

Conor D. Rankine ◽

João P. F. Nunes ◽

Jean-Claude Guillemin ◽

...

Keyword(s):

Electron Diffraction ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Gas Electron Diffraction

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