Title : Substituent effects on noncovalent bonds: complexes of ionized benzene derivatives with hydrogen cyanide.

Pub. Date : 2013 Oct 17

PMID : 24024653






4 Functional Relationships(s)
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1 DFT calculations at the B3LYP/6-311++G(d,p) level show that HCN can form in-plane hydrogen bonds to ring hydrogens, or bind electrostatically to positively charged carbon centers in the ring. Hydrogen metastasis associated lung adenocarcinoma transcript 1 Homo sapiens
2 DFT calculations at the B3LYP/6-311++G(d,p) level show that HCN can form in-plane hydrogen bonds to ring hydrogens, or bind electrostatically to positively charged carbon centers in the ring. Hydrogen metastasis associated lung adenocarcinoma transcript 1 Homo sapiens
3 Further HCN molecules can bind directly to unoccupied ring CH hydrogens or bind to the first-shell HCN molecules to form linear HCN---HCN--- hydrogen bonded chains. Hydrogen metastasis associated lung adenocarcinoma transcript 1 Homo sapiens
4 Further HCN molecules can bind directly to unoccupied ring CH hydrogens or bind to the first-shell HCN molecules to form linear HCN---HCN--- hydrogen bonded chains. Hydrogen metastasis associated lung adenocarcinoma transcript 1 Homo sapiens