Carbonyl compounds of Tc, Re, and Bh: Electronic structure, bonding, and volatility

V. Pershina; M. Iliaš

doi:10.1063/1.5055066

Carbonyl compounds of Tc, Re, and Bh: Electronic structure, bonding, and volatility

The Journal of Chemical Physics ◽

10.1063/1.5055066 ◽

2018 ◽

Vol 149 (20) ◽

pp. 204306 ◽

Cited By ~ 3

Author(s):

V. Pershina ◽

M. Iliaš

Keyword(s):

Electronic Structure ◽

Carbonyl Compounds

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Theoretical investigation of the π -electronic structure and spectra of protonated aromatic carbonyl compounds

International Journal of Quantum Chemistry ◽

10.1002/qua.560090207 ◽

1975 ◽

Vol 9 (2) ◽

pp. 261-271

Author(s):

A. I. Kiss ◽

F. Joó

Keyword(s):

Electronic Structure ◽

Theoretical Investigation ◽

Carbonyl Compounds ◽

Aromatic Carbonyl Compounds

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ChemInform Abstract: MODIFIED INDO CALCULATIONS OF THE ELECTRONIC STRUCTURE OF TRANSITION METAL CARBONYL COMPOUNDS

Chemischer Informationsdienst ◽

10.1002/chin.197630080 ◽

1976 ◽

Vol 7 (30) ◽

pp. no-no

Author(s):

KAZUYUKI TATSUMI ◽

TAKAYUKI FUENO

Keyword(s):

Electronic Structure ◽

Transition Metal ◽

Carbonyl Compounds ◽

Metal Carbonyl ◽

Indo Calculations

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Electronic Structure of Gold Carbonyl Compounds RAuL (R = CF3, BO, Br, Cl, CH3, HCC, Mes3P, SIDipp; L = CO, N2, BO) and Origins of Aurophilic Interactions in the Clusters [RAuL]n(n= 2–4): A Theoretical Study

Organometallics ◽

10.1021/om4007505 ◽

2014 ◽

Vol 33 (19) ◽

pp. 5101-5110 ◽

Cited By ~ 12

Author(s):

Zhi-Feng Li ◽

Xiao-Ping Yang ◽

Li Hui-Xue ◽

Zhen Guo

Keyword(s):

Electronic Structure ◽

Carbonyl Compounds ◽

Theoretical Study ◽

Aurophilic Interactions

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Electronic structure of certain carbonyl compounds containing a conjugated dimethylamino group

Theoretical and Experimental Chemistry ◽

10.1007/bf00526691 ◽

1976 ◽

Vol 10 (4) ◽

pp. 448-452

Author(s):

V. G. Tishchenko ◽

M. M. Fetisova

Keyword(s):

Electronic Structure ◽

Carbonyl Compounds ◽

Dimethylamino Group

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The electronic structure of polyenes and unsaturated carbonyl compounds

Tetrahedron ◽

10.1016/0040-4020(78)88436-1 ◽

1978 ◽

Vol 34 (24) ◽

pp. 3591-3598 ◽

Cited By ~ 16

Author(s):

Martin Klessinger ◽

Ekkehard Gunkel

Keyword(s):

Electronic Structure ◽

Carbonyl Compounds

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ChemInform Abstract: THE ELECTRONIC STRUCTURE OF POLYFLUORINATED CARBONYL COMPOUNDS AND CORRELATION WITH IR SPECTRA AND REACTIVITY

Chemischer Informationsdienst ◽

10.1002/chin.197803109 ◽

1978 ◽

Vol 9 (3) ◽

Author(s):

V. P. ZHUKOV ◽

V. A. GUBANOV

Keyword(s):

Electronic Structure ◽

Ir Spectra ◽

Carbonyl Compounds

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ChemInform Abstract: PHOTOELECTRON SPECTRA OF ORGANIC COMPOUNDS. PART XIII. THE ELECTRONIC STRUCTURE OF POLYENES AND UNSATURATED CARBONYL COMPOUNDS

Chemischer Informationsdienst ◽

10.1002/chin.197913085 ◽

1979 ◽

Vol 10 (13) ◽

Author(s):

M. KLESSINGER ◽

E. GUNKEL

Keyword(s):

Electronic Structure ◽

Organic Compounds ◽

Carbonyl Compounds ◽

Photoelectron Spectra

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Carbonyl compounds of Rh, Ir, and Mt: electronic structure, bonding and volatility

Physical Chemistry Chemical Physics ◽

10.1039/d0cp02118k ◽

2020 ◽

Vol 22 (33) ◽

pp. 18681-18694

Author(s):

M. Iliaš ◽

V. Pershina

Keyword(s):

Electronic Structure ◽

Carbonyl Compounds ◽

Relativistic Effects ◽

Bond Dissociation Energies ◽

Bond Dissociation ◽

Dissociation Energies ◽

Relativistic Dft

First bond dissociation energies and other properties have been predicted for carbonyl compounds of group-9 elements including those of element 109, Mt, from relativistic DFT and CC calculations. A remarkable Λ-shape of the trends is observed, caused by strong relativistic effects on the valence AOs of Mt.

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