@article {47653,
	title = {Glycerol-triazole conjugated rhodamine as colorimetric and fluorimetric sensor for Cu2+},
	journal = {ChemistrySelect},
	volume = {6},
	year = {2021},
	month = {SEP},
	pages = {9288-9292},
	type = {Article},
	abstract = {{A glycerol-triazole tethered rhodamine based colorimetric and fluorimetric sensor 3 {\textquoteleft},6 {\textquoteleft}-bis(diethylamino)-2-(((1-(1,3-dihydroxypropan-2-yl)-1H-1,2,3-triazol-4 -yl)methylene)aminospiro [isoindoline-1,9 {\textquoteleft}-xanthen]-3-one (L1) is designed and synthesized for the selective recognition of Cu2+ ion. The sensor L1 allows naked eye detection of Cu2+ ion with a fast response (<1 min). Among the various metal ions tested, the sensor L1 shows selective binding with Cu2+ through turn-on fluorescence mechanism. The sensor shows 1 : 2 binding stoichiometry with binding constant},
	keywords = {Cu2+ Sensor, DFT, Glycerol, Rhodamine B, Triazole},
	issn = {2365-6549},
	doi = {10.1002/slct.202102145},
	author = {Verma, Abhishek and Gahlyan, Parveen and Bawa, Rashim and Dash, Soumya Ranjan and Prasad, Ashok K. and Kumar, Rakesh}
}
@article {48755,
	title = {Enhancing diradical character of chichibabin{\textquoteright}s hydrocarbon through fluoride substitution},
	journal = {ChemPlusChem},
	volume = {88},
	year = {2023},
	month = {AUG},
	pages = {e202300273},
	type = {Article},
	abstract = {<p>
	In this work, 5-SIDipp [SIDipp=1,3-bis(2,6-diisopropylphenyl)-imidazolin-2-ylidene] (1) derived Chichibabin{\textquoteright}s hydrocarbon with an octafluorobiphenylene spacer (3) has been reported. The addition of two equivalents of 5-SIDipp with decafluorobiphenyl in presence of BF3 gives the double C-F bond activated imidazolium salt with two tetrafluoroborate anions, 2. Further reduction of 2 gives the fluorine substituted 5-SIDipp based Chichibabin{\textquoteright}s hydrocarbon, 3. Quantum chemical calculations suggested a singlet state of 3 with a singlet-triplet energy gap (?ES-T) of 3.7 kcal mol(-1), which is substantially lower with respect to the hydrogen substituted NHC-based Chichibabin{\textquoteright}s hydrocarbons (10.7 kcal mol(-1), B3LYP). As a result, the diradical character (y) of 3 (y=0.62) is also noticeably higher than the hydrogen substituted CHs (y=0.41-0.43). The ?ES-T was found to be higher in CASSCF (22.24 kcal mol(-1)) and CASPT2 (11.17 kcal mol(-1)) for 3 and the diradical character (d) is 44.6 \%.</p>
},
	keywords = {C-F Bond Activation, Chichibabin \& PRIME, DFT, N-Heterocyclic carbene, s Hydrocarbon},
	issn = {2192-6506},
	doi = {10.1002/cplu.202300273},
	author = {Kundu, Gargi and Dash, Soumya Ranjan and Kumar, Ravi and Vanka, Kumar and Ghosh, Aryya and Sen, Sakya S.}
}
