Testing the ONIOM G2R3 model against donor-acceptor dissociation energies of group 13-15 complexes: Accuracy comparable to CCSD(T)/aug-CC-pVTZ at a fraction of the resource cost

2011 ◽  
Vol 32 (8) ◽  
pp. 1493-1499 ◽  
Author(s):  
Thomas M. Gilbert
Keyword(s):  
Group 13 ◽  
Dissociation Energies ◽  
Donor Acceptor ◽  
Resource Cost

scholarly journals In-Depth Investigation of a Donor–Acceptor Interaction on the Heavy-Group-14@Group-13-Diyls in Transition-Metal Tetrylone Complexes: Structure, Bonding, and Property

ACS Omega ◽  
2020 ◽  
Vol 5 (33) ◽  
pp. 21271-21287
Author(s):  
Huynh Thi Phuong Loan ◽  
Thanh Q. Bui ◽  
Tran Thi Ai My ◽  
Nguyen Thi Thanh Hai ◽  
Duong Tuan Quang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Group 14 ◽  
Acceptor Interaction ◽  
Group 13 ◽  
Donor Acceptor ◽  
Heavy Group

scholarly journals Unsupported Donor–Acceptor Complexes of Noble Gases with Group 13 Elements

ACS Omega ◽  
2021 ◽  
Author(s):  
Lakhya J. Mazumder ◽  
Amlan J. Kalita ◽  
Shahnaz S. Rohman ◽  
Chayanika Kashyap ◽  
Sabnam S. Ullah ◽  
...  
Keyword(s):  
Noble Gases ◽  
Group 13 ◽  
Donor Acceptor

Donor−Acceptor “Dressing” of “Naked” Group 13−15 Cubanes

2009 ◽  
Vol 48 (17) ◽  
pp. 8145-8153 ◽  
Author(s):  
Alexey Y. Timoshkin
Keyword(s):  
Group 13 ◽  
Donor Acceptor

Probing Donor–Acceptor Interactions in peri-Substituted Diphenylphosphinoacenaphthyl–Element Dichlorides of Group 13 and 15 Elements

2014 ◽  
Vol 33 (24) ◽  
pp. 7247-7259 ◽  
Author(s):  
Emanuel Hupf ◽  
Enno Lork ◽  
Stefan Mebs ◽  
Lilianna Chęcińska ◽  
Jens Beckmann
Keyword(s):  
Group 13 ◽  
Donor Acceptor

Ionization and Dissociation Energies of Group 13 Metal Complexes with Group 15 Hydrides

2002 ◽  
Vol 106 (30) ◽  
pp. 6941-6944 ◽  
Author(s):  
Shenggang Li ◽  
Gretchen K. Rothschopf ◽  
Bradford R. Sohnlein ◽  
Dong-Sheng Yang
Keyword(s):  
Metal Complexes ◽  
Group 13 ◽  
Dissociation Energies ◽  
Group 15

Divalent carbon(0) compounds

2009 ◽  
Vol 81 (4) ◽  
pp. 597-614 ◽  
Author(s):  
Gernot Frenking ◽  
Ralf Tonner
Keyword(s):  
Carbon Atom ◽  
Lewis Acids ◽  
Binding Energies ◽  
Bond Dissociation Energies ◽  
Dissociation Energies ◽  
Carbon Compounds ◽  
Valence Electrons ◽  
Chemical Studies ◽  
Donor Acceptor ◽  
Quantum Chemical Studies

Quantum chemical studies show that there is a class of carbon compounds with the general formular CL2 where the carbon atom retains its four valence electrons as two lone pairs. The C-L bonds come from L → C donor-acceptor interactions where L is a strong σ-donor. Divalent C(0) compounds (carbones) are conceptually different from divalent C(II) compounds (carbenes) and tetravalent carbon compounds, but the bonding situation in a real molecule may be intermediate between the three archetypes. There are molecules like tetraaminoallenes which may be described in terms of two double bonds (R2N)2C=C=C(NR2)2 where the extraordinary donor strength of the dicoordinated carbon atom comes only to the fore through the interactions with protons and Lewis acids. They may be considered as "hidden divalent C(0) compounds". The donor strength of divalent C(0) molecules has been investigated by calculations of the binding energies with protons and with main-group Lewis acids and the bond dissociation energies (BDEs) of transition-metal complexes.

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