Lone-Pair Orbital Interactions in Polythiaadamantanes

2006 ◽  
Vol 110 (32) ◽  
pp. 9887-9899 ◽  
Author(s):  
Joseph E. Norton ◽  
Alejandro L. Briseno ◽  
Fred Wudl ◽  
K. N. Houk
Keyword(s):  
Lone Pair ◽  
Orbital Interactions ◽  
Lone Pair Orbital

Amino group stretching vibrations in primary aliphatic amines

1967 ◽  
Vol 45 (14) ◽  
pp. 1605-1610 ◽  
Author(s):  
P. J. Krueger ◽  
D. W. Smith
Keyword(s):  
Alkyl Chain ◽  
Inductive Effect ◽  
Lone Pair ◽  
Aliphatic Amines ◽  
Lone Pair Orbital ◽  
First Approximation ◽  
Symmetric Band ◽  
Integrated Intensity ◽  
Stretching Vibrations ◽  
Primary Aliphatic Amines

Primary aliphatic amines can be characterized by infrared spectroscopy as to the nature and degree of branching of the alkyl chain, using the fundamental antisymmetric and symmetric NH2 stretching frequencies measured in dilute C2Cl4 solution. Where steric and direct conjugation effects are absent both frequencies and the integrated intensity of the antisymmetric band increase linearly with decreasing inductive electron-donating power of the alkyl chain. The integrated intensity of the symmetric band, which is smaller than that for the antisymmetric band in all the 26 compounds studied, is independent of the inductive nature of the alkyl chain as a first approximation. These results indicate that the N-atom lone-pair orbital in RNH2 plays a negligibly small role in modifying the inductive effect of R on NH2 frequencies and intensities as long as the N-atom hybridization remains sp3.

scholarly journals A G2(MP2) theoretical study of substituent effects on H3BNHnCl3−n (n= 3-0) donor-acceptor complexes

2008 ◽  
Vol 6 (3) ◽  
pp. 400-403 ◽  
Author(s):  
Hafid Anane ◽  
Soufiane Houssame ◽  
Abdelali Guerraze ◽  
Abdeladim Guermoune ◽  
Abderrahim Boutalib ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Substituent Effects ◽  
Lone Pair ◽  
Proton Affinities ◽  
Lone Pair Orbital ◽  
Chlorine Substitution ◽  
Donor Acceptor ◽  
Nitrogen Lone Pair ◽  
The Stability ◽  
N Compounds

AbstractThe complexation energies of H3BNHnCl3−n (n= 3-0) complexes and the proton affinities of NHnCl3−n compounds have been computed at the G2(MP2) level of theory. G2(MP2) results show that the successive chlorine substitution on the ammonia decreases both the basicity of the NHnCl3−n ligands and the stability of H3BNHnCl3−n complexes. The findings are interpreted in terms of the rehybridisation of the nitrogen lone-pair orbital. The NBO partitioning scheme shows that the variation of the N-H and N-Cl bond lengths, upon complexation, is due to variation of “s” character in these bonds.

Experimental evidence for delocalization of the lone-pair orbital in methanamine from (e,2e) spectroscopy

1984 ◽  
Vol 106 (4) ◽  
pp. 976-979 ◽  
Author(s):  
J. A. Tossell ◽  
S. M. Lederman ◽  
J. H. Moore ◽  
M. A. Coplan ◽  
D. J. Chornay
Keyword(s):  
Experimental Evidence ◽  
Lone Pair ◽  
Lone Pair Orbital

ChemInform Abstract: EXPERIMENTAL EVIDENCE FOR DELOCALIZATION OF THE LONE-PAIR ORBITAL IN METHANAMINE FROM (E,2E) SPECTROSCOPY

1984 ◽  
Vol 15 (21) ◽  
Author(s):  
J. A. TOSSELL ◽  
S. M. LEDERMAN ◽  
J. H. MOORE ◽  
M. A. COPLAN ◽  
D. J. CHORNAY
Keyword(s):  
Experimental Evidence ◽  
Lone Pair ◽  
Lone Pair Orbital

scholarly journals An Example of Lone Pair Orbital and Their Interaction——Gas Phase Ultravlolet Photoelctron Spectroscople Study of some Nitrogen Heterocyclle Compounds

1992 ◽  
Vol 8 (06) ◽  
pp. 809-813
Author(s):  
Wang Dian-Xun ◽  
◽  
Wang Dong ◽  
Zhao Heng-Qi ◽  
Tang Qing ◽  
...  
Keyword(s):  
Gas Phase ◽  
Lone Pair ◽  
Lone Pair Orbital

Experimental observation of relativistic effects on electronic wavefunction for iodine lone-pair orbital of CF3I

2008 ◽  
Vol 457 (1-3) ◽  
pp. 45-48 ◽  
Author(s):  
Zhongjun Li ◽  
Xiangjun Chen ◽  
Xu Shan ◽  
Xinxia Xue ◽  
Tao Liu ◽  
...  
Keyword(s):  
Experimental Observation ◽  
Lone Pair ◽  
Relativistic Effects ◽  
Lone Pair Orbital ◽  
Electronic Wavefunction
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