Empirical correlation between the molecular electric field gradients and the average molecular polarizabilities of some halogen compounds

Empirical correlation between the molecular electric field gradients and the average molecular polarizabilities of some halogen compounds

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ABSTRACT A NUCLEAR quadrupole resonance signal1 is split into two components by electrostatic fields2 with up to maximum field strengths of 50 kV/cm. The separation between the two components is a linear function2 of the polarizability of the molecular species under investigation. The aim of this communication is to demonstrate the general validity of this particular relationship2 which is in fact independent of any restricting experimental conditions, for example application of an electrostatic field (Stark effect2). Although there are relatively few compounds for which both the nuclear quadrupole resonance and molecular polarizability data are available, the general validity of the correlation between the molecular polarizability and nuclear quadrupole resonance parameters, such as the molecular electric field gradients _q_zz, can be demonstrated conclusively in the series of the homologous compounds CH3C1, CH2Cl2 and CHCl3. The relevant experimental data3–7 are shown in Table 1 and illustrated in Fig. 1. Access through your institution Buy or subscribe This is a preview of subscription content, access via your institution ACCESS OPTIONS Access through your institution Subscribe to this journal Receive 51 print issues and online access $199.00 per year only $3.90 per issue Learn more Buy this article * Purchase on SpringerLink * Instant access to full article PDF Buy now Prices may be subject to local taxes which are calculated during checkout ADDITIONAL ACCESS OPTIONS: * Log in * Learn about institutional subscriptions * Read our FAQs * Contact customer support SIMILAR CONTENT BEING VIEWED BY OTHERS INTRODUCING A NEW CORRELATION FUNCTIONAL IN DENSITY FUNCTIONAL THEORY Article Open access 31 July 2024 ZERO-FIELD _J_-SPECTROSCOPY OF QUADRUPOLAR NUCLEI Article Open access 27 May 2024 RELATIVE CONFIGURATION OF MICROGRAMS OF NATURAL COMPOUNDS USING PROTON RESIDUAL CHEMICAL SHIFT ANISOTROPY Article Open access 01 September 2020 REFERENCES * Dehmelt, H. G., and Krüger, H., _Naturwissenschaften._, 37, 111 (1950). Article  CAS  ADS  Google Scholar  * Duchesne, J., Read, M., and Cornil, P., _J. Phys. Chem. Solids_, 24, 1338 (1963). Article  Google Scholar  * Livingston, R., _J. Phys. Chem._, 57, 496 (1953). Article  CAS  Google Scholar  * Gutowsky, H., and McCall, D., _J. Chem. Phys._, 32, 549 (1960). Article  ADS  Google Scholar  * Pound, R., and Watkins, G., _Prog. Nucl. Phys._, 2, 21 (1952). Google Scholar  * Livingston, R., _Phys. Rev._, 82, 289 (1951). Article  CAS  ADS  MathSciNet  Google Scholar  * Stuart, H. A., in _Die Struktur des Freien Moleküls_, 440 (Springer-Verlag, 1952). Book  Google Scholar  * Landolt-Börnstein, in _Zahlenwerte und Funktionen_, 1, Part 3, 515 (Springer-Verlag, 1951). MATH  Google Scholar  * _Gmelin's Handbuch der Anorganischen Chemie, Silicium_, eighth ed. * Landolt-Börnstein, _Zahlenwerte und Funktionen_, 1, Part 2 260 121, 267 (Springer-Verlag, 1951). MATH  Google Scholar  * Clausius, R., _Mechanische Wärmetheorie_, 2, 94 (1874). Google Scholar  * Mosotti, O. F., _Mem. Math. Fis. Modena_, 24, Part II, 49 (1850). Google Scholar  * Townes, C. H., and Dailey, B. P., _J. Chem. Phys._, 17, 783 (1949). Article  ADS  Google Scholar  * Das, T. P., and Hahn, E. L., _Solid State Phys._, suppl. 1, 101 (1958). * Hückel, W., in _Structural Chemistry of Inorganic Compounds_, 471 (Elsevier, 1951). Google Scholar  * Gerdil, R., _Nature_, 212, 922 (1966). Article  CAS  ADS  Google Scholar  * Lucken, E. A. C., and Whitehead, M. A., _J. Chem. Soc._, 2459 (1961). * Iredale, T., _Nature_, 177, 36 (1956). Article  CAS  ADS  Google Scholar  * Meal, H. C., _J. Amer. Chem. Soc._, 74, 6121 (1952). Article  CAS  Google Scholar  * Bray, P. J., and Barnes, R. G., _J. Chem. Phys._, 22, 1787 (1954); ibid., 27, 551 (1957). Article  CAS  ADS  Google Scholar  * Das, T. P., and Hahn, E. L., _Solid State Phys._, suppl. 1, 18 (1958). Download references AUTHOR INFORMATION Author notes * PAUL MACHMER Present address: Department of Chemistry, University of Leicester, AUTHORS AND AFFILIATIONS * Institute of Inorganic Chemistry, University of Cologne, Germany PAUL MACHMER Authors * PAUL MACHMER View author publications You can also search for this author inPubMed Google Scholar RIGHTS AND PERMISSIONS Reprints and permissions ABOUT THIS ARTICLE CITE THIS ARTICLE MACHMER, P. Empirical Correlation between the Molecular Electric Field Gradients and the Average Molecular Polarizabilities of some Halogen Compounds. _Nature_ 217, 165–166 (1968). https://doi.org/10.1038/217165a0 Download citation * Received: 14 December 1967 * Published: 01 January 1968 * Issue Date: 13 January 1968 * DOI: https://doi.org/10.1038/217165a0 SHARE THIS ARTICLE Anyone you share the following link with will be able to read this content: Get shareable link Sorry, a shareable link is not currently available for this article. Copy to clipboard Provided by the Springer Nature SharedIt content-sharing initiative

ABSTRACT A NUCLEAR quadrupole resonance signal1 is split into two components by electrostatic fields2 with up to maximum field strengths of 50 kV/cm. The separation between the two


components is a linear function2 of the polarizability of the molecular species under investigation. The aim of this communication is to demonstrate the general validity of this particular


relationship2 which is in fact independent of any restricting experimental conditions, for example application of an electrostatic field (Stark effect2). Although there are relatively few


compounds for which both the nuclear quadrupole resonance and molecular polarizability data are available, the general validity of the correlation between the molecular polarizability and


nuclear quadrupole resonance parameters, such as the molecular electric field gradients _q_zz, can be demonstrated conclusively in the series of the homologous compounds CH3C1, CH2Cl2 and


CHCl3. The relevant experimental data3–7 are shown in Table 1 and illustrated in Fig. 1. Access through your institution Buy or subscribe This is a preview of subscription content, access


via your institution ACCESS OPTIONS Access through your institution Subscribe to this journal Receive 51 print issues and online access $199.00 per year only $3.90 per issue Learn more Buy


this article * Purchase on SpringerLink * Instant access to full article PDF Buy now Prices may be subject to local taxes which are calculated during checkout ADDITIONAL ACCESS OPTIONS: *


Log in * Learn about institutional subscriptions * Read our FAQs * Contact customer support SIMILAR CONTENT BEING VIEWED BY OTHERS INTRODUCING A NEW CORRELATION FUNCTIONAL IN DENSITY


FUNCTIONAL THEORY Article Open access 31 July 2024 ZERO-FIELD _J_-SPECTROSCOPY OF QUADRUPOLAR NUCLEI Article Open access 27 May 2024 RELATIVE CONFIGURATION OF MICROGRAMS OF NATURAL COMPOUNDS


USING PROTON RESIDUAL CHEMICAL SHIFT ANISOTROPY Article Open access 01 September 2020 REFERENCES * Dehmelt, H. G., and Krüger, H., _Naturwissenschaften._, 37, 111 (1950). Article  CAS  ADS


  Google Scholar  * Duchesne, J., Read, M., and Cornil, P., _J. Phys. Chem. Solids_, 24, 1338 (1963). Article  Google Scholar  * Livingston, R., _J. Phys. Chem._, 57, 496 (1953). Article 


CAS  Google Scholar  * Gutowsky, H., and McCall, D., _J. Chem. Phys._, 32, 549 (1960). Article  ADS  Google Scholar  * Pound, R., and Watkins, G., _Prog. Nucl. Phys._, 2, 21 (1952). Google


Scholar  * Livingston, R., _Phys. Rev._, 82, 289 (1951). Article  CAS  ADS  MathSciNet  Google Scholar  * Stuart, H. A., in _Die Struktur des Freien Moleküls_, 440 (Springer-Verlag, 1952).


Book  Google Scholar  * Landolt-Börnstein, in _Zahlenwerte und Funktionen_, 1, Part 3, 515 (Springer-Verlag, 1951). MATH  Google Scholar  * _Gmelin's Handbuch der Anorganischen Chemie,


Silicium_, eighth ed. * Landolt-Börnstein, _Zahlenwerte und Funktionen_, 1, Part 2 260 121, 267 (Springer-Verlag, 1951). MATH  Google Scholar  * Clausius, R., _Mechanische Wärmetheorie_, 2,


94 (1874). Google Scholar  * Mosotti, O. F., _Mem. Math. Fis. Modena_, 24, Part II, 49 (1850). Google Scholar  * Townes, C. H., and Dailey, B. P., _J. Chem. Phys._, 17, 783 (1949). Article 


ADS  Google Scholar  * Das, T. P., and Hahn, E. L., _Solid State Phys._, suppl. 1, 101 (1958). * Hückel, W., in _Structural Chemistry of Inorganic Compounds_, 471 (Elsevier, 1951). Google


Scholar  * Gerdil, R., _Nature_, 212, 922 (1966). Article  CAS  ADS  Google Scholar  * Lucken, E. A. C., and Whitehead, M. A., _J. Chem. Soc._, 2459 (1961). * Iredale, T., _Nature_, 177, 36


(1956). Article  CAS  ADS  Google Scholar  * Meal, H. C., _J. Amer. Chem. Soc._, 74, 6121 (1952). Article  CAS  Google Scholar  * Bray, P. J., and Barnes, R. G., _J. Chem. Phys._, 22, 1787


(1954); ibid., 27, 551 (1957). Article  CAS  ADS  Google Scholar  * Das, T. P., and Hahn, E. L., _Solid State Phys._, suppl. 1, 18 (1958). Download references AUTHOR INFORMATION Author notes


* PAUL MACHMER Present address: Department of Chemistry, University of Leicester, AUTHORS AND AFFILIATIONS * Institute of Inorganic Chemistry, University of Cologne, Germany PAUL MACHMER


Authors * PAUL MACHMER View author publications You can also search for this author inPubMed Google Scholar RIGHTS AND PERMISSIONS Reprints and permissions ABOUT THIS ARTICLE CITE THIS


ARTICLE MACHMER, P. Empirical Correlation between the Molecular Electric Field Gradients and the Average Molecular Polarizabilities of some Halogen Compounds. _Nature_ 217, 165–166 (1968).


https://doi.org/10.1038/217165a0 Download citation * Received: 14 December 1967 * Published: 01 January 1968 * Issue Date: 13 January 1968 * DOI: https://doi.org/10.1038/217165a0 SHARE THIS


ARTICLE Anyone you share the following link with will be able to read this content: Get shareable link Sorry, a shareable link is not currently available for this article. Copy to clipboard


Provided by the Springer Nature SharedIt content-sharing initiative