Title : Molecular structures and vibrations of m-methylaniline in the S0 and S1 states studied by laser induced fluorescence spectroscopy and ab initio calculations.

Pub. Date : 2000 Sep

PMID : 10989882






1 Functional Relationships(s)
Download
Sentence
Compound Name
Protein Name
Organism
1 Ab initio calculations at MP2/6-31G* and CIS/6-31G* show that the optimized structure of m-methylaniline in the ground state is not planar with the amino group having sp3 hybridation-like character due to the existence of lone-paired electrons on the nitrogen atom. 3-toluidine suppressor of cytokine signaling 5 Homo sapiens