ISOTOPE EFFECT ON HYDROGEN-BOND LENGTH

被引:88
作者
SINGH, TR
WOOD, JL
机构
[1] Department of Chemistry, Imperial College of Science and Technology, London, S.W.7, Imperial Institute Road
[2] Department of Chemistry, University of Western Ontario, London, Ont.
[3] Department of Chemistry, University of California, Davis, CA
关键词
D O I
10.1063/1.1671587
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Using the Stepanov approximation, computer calculations have been made of the effect of deuterium substitution on the length of the hydrogen bond. Expansion on replacement with deuterium is a feature of both symmetric and asymmetric double-minimum potentials, contraction of single-minimum potentials. The origin of the effect and its relation to observations is discussed.
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页码:3572 / &
相关论文
共 17 条
[1]   WATER MOLECULES IN CUSO4.5H2O [J].
BACON, GE ;
CURRY, NA .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1962, 266 (1324) :95-&
[2]   A NEUTRON-DIFFRACTION STUDY OF THE FERROELECTRIC TRANSITION OF POTASSIUM DIHYDROGEN PHOSPHATE [J].
BACON, GE ;
PEASE, RS .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1955, 230 (1182) :359-381
[3]   HYDROGEN BONDING IN GASEOUS MIXTURES .4. INFRARED INTENSITIES . EFFECT OF DEUTERIUM SUBSTITUTION [J].
BERTIE, JE ;
MILLEN, DJ .
JOURNAL OF THE CHEMICAL SOCIETY, 1965, (JAN) :514-&
[4]   ERRATUM - POTENTIAL FUNCTION FOR STRETCHING REGION IN POTASSIUM ACID FLUORIDE [J].
DELAPLANE, RG .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) :539-+
[5]  
GALLAGHER KJ, 1959, HYDROGEN BONDING, P45
[6]  
HADZI D, 1959, HYDROGEN BONDING, P45
[7]  
HADZI D, 1959, HYDROGEN BONDING ED, P54
[8]  
HAMILTON W, 1962, ANNU REV PHYS CHEM, V13, P28
[9]   STRUCTURES OF HCRO2 AND DCRO2 [J].
HAMILTON, WC ;
IBERS, JA .
ACTA CRYSTALLOGRAPHICA, 1963, 16 (12) :1209-&
[10]   POTENTIAL FUNCTION FOR STRETCHING REGION IN POTASSIUM ACID FLUORIDE [J].
IBERS, JA .
JOURNAL OF CHEMICAL PHYSICS, 1964, 41 (01) :25-&