首页|Equilibrium molecular structure and intramolecular interactions of picolinic acid hydrazide
Equilibrium molecular structure and intramolecular interactions of picolinic acid hydrazide
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
NSTL
Elsevier
Conformational composition and molecule structure of gaseous picolinic acid hydrazide (picolinohydrazide) have been investigated for the first time by means of joint application of gas electron diffraction and quantum chemical calculations. Semi-experimental equilibrium molecular parameters of the prevailing conformer possessing C-s symmetry have been determined. The standard enthalpy of formation of gaseous picolinohydrazide has been estimated using G4 theory. The intermolecular interactions stabilizing major conformation of free picolinohydrazide have been discussed using the results of NBO, AIM and NCI analyses. The structure of gaseous picolinohydrazide was found to be different from that of the solid phase.
Picolinic acid hydrazideGas-phase electron diffractionEquilibrium molecular structureIntramolecular interactionsStandard enthalpy of formation in the gas & nbspphaseATOMSPYRAZINAMIDEAPPROXIMATIONBORON
Kolesnikova, Inna N.、Chegodaev, Nikolai A.、Sharanov, Pavel Yu. F.、Shishkov, IgorF
NSTL
Elsevier
