UPS study of intramolecular interactions

Igor Novak; Branka Kovač

doi:10.1016/S0368-2048(00)00422-9

UPS study of intramolecular interactions

Igor Novak, Branka Kovač

Agricultural, Environmental and Veterinary Sciences

Ruđer Bošković Institute

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

HeI photoelectron spectra (UPS) of pyrazabole and cubane-1,4-dicarboxylic acid dimethyl ester were recorded and analyzed using semi-empirical calculations. The efficiency of BH₂ fragment in relaying interactions between pyrazole rings was determined. The cubane ester was studied because of possible through-bond interactions between carboxyl groups relayed via the rigid cubane skeleton. The energies of orbitals associated with COOMe group fall within the energy level gap between t_2g+t_2u and e_g manifolds in cubane and it is interesting to determine which mechanism is operational for COOMe-COOMe interactions.

Original language	English
Pages (from-to)	175-177
Number of pages	3
Journal	Journal of Electron Spectroscopy and Related Phenomena
Volume	113
Issue number	2-3
DOIs	https://doi.org/10.1016/S0368-2048(00)00422-9
Publication status	Published - Feb 2001

Access to Document

10.1016/S0368-2048(00)00422-9

Cite this

@article{5b6596d55cb04309b83c0ab5e8e266d5,

title = "UPS study of intramolecular interactions",

abstract = "HeI photoelectron spectra (UPS) of pyrazabole and cubane-1,4-dicarboxylic acid dimethyl ester were recorded and analyzed using semi-empirical calculations. The efficiency of BH2 fragment in relaying interactions between pyrazole rings was determined. The cubane ester was studied because of possible through-bond interactions between carboxyl groups relayed via the rigid cubane skeleton. The energies of orbitals associated with COOMe group fall within the energy level gap between t2g+t2u and eg manifolds in cubane and it is interesting to determine which mechanism is operational for COOMe-COOMe interactions.",

author = "Igor Novak and Branka Kova{\v c}",

year = "2001",

month = feb,

doi = "10.1016/S0368-2048(00)00422-9",

language = "English",

volume = "113",

pages = "175--177",

journal = "Journal of Electron Spectroscopy and Related Phenomena",

issn = "0368-2048",

publisher = "Elsevier",

number = "2-3",

}

TY - JOUR

T1 - UPS study of intramolecular interactions

AU - Novak, Igor

AU - Kovač, Branka

PY - 2001/2

Y1 - 2001/2

N2 - HeI photoelectron spectra (UPS) of pyrazabole and cubane-1,4-dicarboxylic acid dimethyl ester were recorded and analyzed using semi-empirical calculations. The efficiency of BH2 fragment in relaying interactions between pyrazole rings was determined. The cubane ester was studied because of possible through-bond interactions between carboxyl groups relayed via the rigid cubane skeleton. The energies of orbitals associated with COOMe group fall within the energy level gap between t2g+t2u and eg manifolds in cubane and it is interesting to determine which mechanism is operational for COOMe-COOMe interactions.

AB - HeI photoelectron spectra (UPS) of pyrazabole and cubane-1,4-dicarboxylic acid dimethyl ester were recorded and analyzed using semi-empirical calculations. The efficiency of BH2 fragment in relaying interactions between pyrazole rings was determined. The cubane ester was studied because of possible through-bond interactions between carboxyl groups relayed via the rigid cubane skeleton. The energies of orbitals associated with COOMe group fall within the energy level gap between t2g+t2u and eg manifolds in cubane and it is interesting to determine which mechanism is operational for COOMe-COOMe interactions.

UR - http://www.scopus.com/inward/record.url?scp=0034818213&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0034818213&partnerID=8YFLogxK

U2 - 10.1016/S0368-2048(00)00422-9

DO - 10.1016/S0368-2048(00)00422-9

M3 - Article

AN - SCOPUS:0034818213

SN - 0368-2048

VL - 113

SP - 175

EP - 177

JO - Journal of Electron Spectroscopy and Related Phenomena

JF - Journal of Electron Spectroscopy and Related Phenomena

IS - 2-3

ER -

UPS study of intramolecular interactions

Abstract

Access to Document

Other files and links

Fingerprint

Cite this