(Isocyano group)⋯lone pair interactions involving coordinated isocyanides: experimental, theoretical and CSD studies

CrystEngComm ◽  
2020 ◽  
Vol 22 (7) ◽  
pp. 1154-1159 ◽  
Author(s):  
Alexander S. Mikherdov ◽  
Svetlana A. Katkova ◽  
Alexander S. Novikov ◽  
Mariia M. Efremova ◽  
Elena Yu. Reutskaya ◽  
...  
Keyword(s):  
Lone Pair ◽  
Carbon And Nitrogen ◽  
Lone Pairs ◽  
Lone Pair Interactions ◽  
Pair Interactions

Both carbon and nitrogen centers in the coordinated isocyano group are capable of acting as a π-hole donor toward lone pairs.

A study of lone-pair interactions of tetracyclic diamines by ultraviolet photoelectron spectroscopy

1986 ◽  
Vol 64 (4) ◽  
pp. 760-763 ◽  
Author(s):  
Nick Henry Werstiuk ◽  
Douglas Neve Butler ◽  
Sushil Datta
Keyword(s):  
Photoelectron Spectroscopy ◽  
Lone Pair ◽  
Photoelectron Spectra ◽  
Ultraviolet Photoelectron Spectroscopy ◽  
First Report ◽  
Lone Pairs ◽  
Nitrogen Lone Pair ◽  
Lone Pair Interactions ◽  
Pair Interactions ◽  
Hydrogen Bonded

The ultraviolet photoelectron spectra of 2,7-diazatetracyclo[3.3.3.0.4,90.8,11]undecane (1) and its N,N-dimethyl- and methylene-bridged analogues 2 and 3 are documented. The spectrum of 2, which exhibits a nitrogen lone-pair splitting of 0.95 ± 0.1 eV, is interpreted on the basis of an interaction of "inside" lone pairs of the 1,2-diamine. Apparently this is the first report of a study of such an interaction. The spectrum of 1 is consistent with our view that 1 is an intramolecularly hydrogen bonded species in which the lone pairs are "inside–outside".

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