Simkin, B. Ya. published the artcileElectronic structure of some α,ω-functionally substituted polyenes, Application In Synthesis of 924-99-2, the publication is Journal of Molecular Structure (1974), 22(2), 193-200, database is CAplus.
The Pariser-Parr-Pople SCF method is applied to the calculation of Me2N(CH:CH)nCHO (I), Me2N(CH:CH)nCO2Et (II), and EtO2C(CH:CH)nCHO (III) using alternating bond length (ABL) constant bond length (CBL) models. Spectral behavior of I or II is satisfactorily described by the ABL (βvar) and CBL models. Large bathochromic shifts of absorption bands of I and II, observed when the polyene chain is lengthened cannot be explained by the ABL (βconst) model. Neither model can account for the increase of dipole moment of I and II with increasing n. Long wave transition energies and dipole moments of III calculated using the ABL (βvar) and CBL (βvar or βconst) models are close to the exptl. values. The application of both models leads to bond alternation in I,II, and III. The alternation of bonds decreases in the 1st excited state.
Journal of Molecular Structure published new progress about 924-99-2. 924-99-2 belongs to esters-buliding-blocks, auxiliary class Alkenyl,Amine,Aliphatic hydrocarbon chain,Ester, name is Ethyl 3-(dimethylamino)acrylate, and the molecular formula is C7H7ClN2, Application In Synthesis of 924-99-2.
Referemce:
https://en.wikipedia.org/wiki/Ester,
Ester – an overview | ScienceDirect Topics