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Titolo:
Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen
Autore:
Mandal, PK; Arunan, E;
Indirizzi:
Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, Karnataka, India Indian Inst Sci Bangalore Karnataka India 560012 560012, Karnataka, India
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 9, volume: 114, anno: 2001,
pagine: 3880 - 3882
SICI:
0021-9606(20010301)114:9<3880:HBRFTH>2.0.ZU;2-A
Fonte:
ISI
Lingua:
ENG
Soggetto:
INFRARED-ABSORPTION SPECTROSCOPY; ROTATIONAL SPECTRUM; MICROWAVE-SPECTRUM; GAS-PHASE; HCN COMPLEX; DIMER; GEOMETRY; HI; CHROMOPHORE; QUADRUPOLE;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
33
Recensione:
Indirizzi per estratti:
Indirizzo: Mandal, PK Indian Inst Sci, Dept Inorgan & Phys Chem, Bangalore 560012, Karnataka, India Indian Inst Sci Bangalore Karnataka India 560012 nataka, India
Citazione:
P.K. Mandal e E. Arunan, "Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen", J CHEM PHYS, 114(9), 2001, pp. 3880-3882

Abstract

In this article, the effective size of hydrogen in the hydrogen halides forming hydrogen bonded complexes is estimated. The scheme proposed by Bhadane and Gadre [J. Chem. Phys. 107, 5625 (1997)] for estimating the size of hydrogen in HF is extended to the other hydrogen halides (HCl and HBr) and HCN. It is noted that the radius of H atom in HF, HCl, HBr, and HCN are, respectively, 0.55 +/-0.07, 0.74 +/-0.08, 0.80 +/-0.11, and 0.93 +/-0.07 Angstrom. The radii found for HF, HCl, and HBr show a strong inverse correlation with the dipole moment of the HX. From this correlation the radius of H atom in HI is estimated to be 0.90 +/-0.11 Angstrom. By extrapolating to zero dipole moment, the van der Waals radius of H atom is determined to be 1.0 +/-0.1 Angstrom, reasonably close to the value proposed by Pauling, 1.2 Angstrom. (C) 2001 American Institute of Physics.

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Documento generato il 03/12/20 alle ore 12:46:03