Isomeric form and proton localization in (9E)-Phenanthrene-9,10-dione[(1Z)- 3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene]hydrazonium bromide

(9E)-Phenanthrene-9,10-dione[(1Z)-3,3-dimethyl-3,4-dihydroisoquinolin-1(2H) -ylidene]hydrazonium bromide (LH)Br (I) was synthesized. The models of protonated forms of the LH+ cation were calculated by quantum-chemical methods, and their relative stability was estimated. The crystal structure of compound I was determined by X-ray diffraction analysis. Compound I is built according to the cation-anion type (the mobile protons are located at the nitrogen atoms). The cation exists in the s-cis,cis-isomeric form stabilized by two cyclic hydrogen bonds. The π-electron density is localized on the multiple bonds N(1)-C(1) (1.292(4) Å) and N(3)-C(12) (1.294(4) Å). The spectroscopic characteristics (IR and electronic absorption spectra) of compound I are obtained. © Pleiades Publishing, Ltd., 2010.

Authors
Publisher
IAPC Nauka/Interperiodica
Number of issue
5
Language
English
Pages
700-708
Status
Published
Volume
55
Year
2010
Organizations
  • 1 Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russian Federation
  • 2 Russian Peoples Friendship University, ul. Miklukho-Maklaya 6, Moscow, 117198, Russian Federation
  • 3 Institute of Technical Chemistry, Ural Division, Russian Academy of Sciences, ul. Lenina 13, Perm, 614600, Russian Federation
Keywords
Absorption spectroscopy; Anthracene; Chemical stability; Crystal structure; Positive ions; Quantum chemistry; X ray diffraction analysis; Electronic absorption spectra; Isomeric forms; Mobile protons; Multiple bonds; Nitrogen atom; Quantum-chemical methods; Relative stabilities; Spectroscopic characteristics; Hydrogen bonds
Date of creation
19.10.2018
Date of change
12.04.2021
Short link
https://repository.rudn.ru/en/records/article/record/2833/
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