RT journal article
T1 Unusual reverse face-to-face stacking in propylene linked pyrazole system: perspective of organic materials
A1 Kumar Rai, Sunil
A1 Srivastava, Priyanka
A1 Gupta, Hariom
A1 Puerta Vizcaino, María del Carmen
A1 Valerga Jiménez, Pedro Sixto
A1 Kumar Tewari, Ashish
A2 Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
K1 2D NOESY
K1 Density functional theory
K1 Noncovalent interactions
K1 Pyrazole
K1 Single crystal X-ray diffraction
K1 Transmission electron microscopy
AB Flexible dimers 1, 2, and 3 of ‘‘pyrazole’’ derivatives linked with propylene spacer are synthesized and conformational stability in solid, solution, and gaseous states is studied through single crystal X-ray diffraction, 2D NOESY ,and DFT, respectively. The folded conformation of compound 2 is stable in all three states and X-ray diffraction evince that molecule is intramolecularly stacked in reverse face-to-face manner. TEM image of compound 2 exhibits rigid hollow nanospikes with high tendency to form agglomerates.
PB Springer
YR 2015
FD 2015
LK http://hdl.handle.net/10498/20444
UL http://hdl.handle.net/10498/20444
LA eng
DS Repositorio Institucional de la Universidad de Cádiz
RD 15-nov-2026