바로가기메뉴

본문 바로가기 주메뉴 바로가기

logo

  • P-ISSN2233-4203
  • E-ISSN2093-8950

Ditopic Binding of Alkali Halide Ions to Trimethylboroxine

Mass Spectrometry Letters, (P)2233-4203; (E)2093-8950
2010, v.1 no.1, pp.9-12
https://doi.org/10.5478/MSL.2010.1.1.009
Kyung Hwan Jeong (Pohang University of Science and Technology)
Seung Koo Shin (Pohang University of Science and Technology)
  • Downloaded
  • Viewed

Abstract

Trimethylboroxine (TMB) is a six-membered ring compound containing Lewis acidic boron and Lewis basic oxygenatoms that can bind halide anion and alkali metal cation, respectively. We employed Fourier transform ion cyclotron resonancespectroscopy to study the gas-phase binding of LiBrLi+ and F−(KF)2 to TMB. TMB forms association complexes with bothLiBrLi+ and F–(KF)2 at room temperature, providing direct evidence for the ditopic binding. Interestingly, the TMB·F−(KF)2anion complex is formed 33 times faster than the TMB·Li+BrLi cation complex. To gain insight into the ditopic binding of an ionpair, we examined the structures and energetics of TMB·Li+, TMB·F–, TMB·LiF (the contact ion pair), and Li+·TMB·F– (the separatedion pair) using Hartree–Fock and density functional theory. Theory suggests that F– binds more strongly to TMB than Li+and the contact ion-pair binding (TMB·LiF) is more stable than the separated ion-pair binding (Li+·TMB·F–).

Submission Date
2010-10-22
Revised Date
2010-11-22
Accepted Date
2010-11-24

Reference

1

Atwood, J. L. (1996). Comprehensive Supramolecular Chemistry:Pergamon.

2

Bianchi, A. (1997). Supramolecular Chemistry of Anions:VCH.

3

Beer, P. D. (2001). . Angew. Chem, 113, 502-.

4

Echavarren, A. (1989). . J. Am. Chem. Soc, 111, 4994-.

5

Beer, P. D. (1999). . Chem. Commun, , 1253-.

6

Reetz, M. T. (1991). . Angew. Chem, 103, 1515-.

7

Rudkevich, D. M. (1994). . Angew. Chem, 106, 480-.

8

Beer, P. D. (1998). . Chem. Commun, , 825-.

9

Beer, P. D. (1998). . Chem. Commun, , 129-.

10

Scheeder, J. (1996). . Angew. Chem, 108, 1172-.

11

Fowler, P. W. (1997). . Phys. Chem. A, 101, 1409-.

12

Lamb, D. W. (1998). . Chem. Phys. Lett, 291, 197-.

13

Beckett, M. A. (1999). . J. Organomet. Chem, 585, 7-.

14

Jarek, R. L. (1997). . J. Am. Chem. Soc, 119, 10501-.

15

Jarek, R. L. (1998). . J. Chem. Phys, 109, 4258-.

16

Jarek, R. L. (2000). . J. Phys. Chem. A, 104, 2230-.

17

Boys, S. F. (1970). . Mol. Phys, 19, 553-.

18

Scott, A. P. (1996). . J. Phys. Chem, 100, 16502-.

19

Chase, Jr. M. W. NIST-JANAF Themochemical Tables.

Mass Spectrometry Letters