ChemInform Abstract: Molecular Structure, Bonding, and Jahn-Teller Effect in Gold Chlorides: Quantum Chemical Study of AuCl3, Au2Cl6, AuCl-4, AuCl, and Au2Cl2 and Electron Diffraction Study of Au2Cl6.

ChemInform ◽  
2001 ◽  
Vol 32 (19) ◽  
pp. no-no
Author(s):  
Magdolna Hargittai ◽  
Axel Schulz ◽  
Balazs Reffy ◽  
Maria Kolonits
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Diffraction Study ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Electron Diffraction Study ◽  
Chemical Study ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

scholarly journals 1. Quantum chemical study of the Jahn – Teller effect on the distortions of XO2 (X = O, S, Se, Te) systems

2020 ◽  
Vol 2 (7) ◽  
pp. 739-749
Author(s):  
Ali Esmaeili ◽  
◽  
Reza Fazaeli ◽  
Esmat Mohammadi Nasab ◽  
◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Teller Effect ◽  
Jahn Teller ◽  
Jahn Teller Effect

Do enantiomers of benzenesulfonic acid exist? Electron diffraction and quantum chemical study of molecular structure of benzenesulfonic acid

2012 ◽  
Vol 1023 ◽  
pp. 25-30 ◽  
Author(s):  
Nina I. Giricheva ◽  
Georgiy V. Girichev ◽  
Yulia S. Medvedeva ◽  
Sergey N. Ivanov ◽  
Vyacheslav M. Petrov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Benzenesulfonic Acid

Electron diffraction and quantum chemical study of the molecular structure of 4-methylbenzene sulfochloride

1999 ◽  
Vol 40 (4) ◽  
pp. 533-540 ◽  
Author(s):  
V. M. Petrov ◽  
V. N. Petrova ◽  
V. V. Kislov ◽  
S. N. Ivanov ◽  
G. V. Girichev ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

ChemInform Abstract: Intriguing Gold Trifluoride - Molecular Structure of Monomers and Dimers: An Electron Diffraction and Quantum Chemical Study.

ChemInform ◽  
2010 ◽  
Vol 31 (24) ◽  
pp. no-no
Author(s):  
Balazs Reffy ◽  
Maria Kolonits ◽  
Axel Schulz ◽  
Thomas M. Klapoetke ◽  
Magdolna Hargittai
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study

scholarly journals Quantum-chemical study of octafluoro-spirobi[triphosphazene]

2020 ◽  
Author(s):  
Marian Gall ◽  
Martin Breza
Keyword(s):  
Electronic Structures ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Spin States ◽  
Molecular Charge ◽  
Jahn Teller ◽  
Jahn Teller Effect ◽  
Symmetric Structures ◽  
Stable Structures

The geometries of monocharged and neutral octafluoro-spirobi[triphosphazene] in singlet, doublet and/or triplet ground spin states were optimized. Their electronic structures are investigated in terms of Quantum Theory of Atoms-in-Molecules and compared with neutral hexafluorocyclotriphosphazene. The change of the total molecular charge implies mainly the change of the properties of the nitrogen atoms which are bonded to the central spiro-phosphorus atom. The charged systems in singlet spin states have stable structures of D2d symmetry only unlike the remaining ones of C2 symmetry within two geometry types. The existence of the less symmetric structures can be fully explained as a consequence of the (pseudo-) Jahn-Teller effect.

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