Elements Of Physical Chemistry
Elements Of Physical Chemistry
7th Edition
ISBN: 9780198796701
Author: ATKINS, P. W. (peter William), De Paula, Julio
Publisher: Oxford University Press
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Chapter 9, Problem 9.3PR

(a)

Interpretation Introduction

Interpretation:

The overlap between an H1sandanH2p depends on their separation has to be sketched.

Concept Introduction:

The overlap of atomic orbital of one atom with the atomic orbital of another atom is called the overlap integral.

The overlap integral between H1s orbital and H2p orbital on nuclei can be written as S = (R/a0){1 + (R/a0) + 13 (R/a0)2}e-R/a0, where R is the distance between the nuclei.

(b)

Interpretation Introduction

Interpretation:

The graph of overlap versus separation between nuclei has to be plotted.  Also the separation at which maximum overlap is obtained has to be mentioned.

Concept Introduction:

The overlap of atomic orbital of one atom with the atomic orbital of another atom is called the overlap integral.

The overlap integral between H1s orbital and H2p orbital on nuclei can be written as S = (R/a0){1 + (R/a0) + 13 (R/a0)2}e-R/a0, where R is the distance between the nuclei.

(c)

Interpretation Introduction

Interpretation:

A linear combination of orbital A and B which is not overlapping with the given wave function has to be found.

Concept Introduction:

Two functions are said to be orthogonal if the integral of their product is zero.

Consider two functions X and Y. If these functions are orthogonal then X.Ydz=0.

A function is said to be normalized if the integral of its product to itself is 1.

Consider a function X, if this function is normalized then X.Xdz=1.

(d)

Interpretation Introduction

Interpretation:

The given wave function has to be normalized in terms of λandS.

Concept Introduction:

Two functions are said to be orthogonal if the integral of their product is zero.

Consider two functions X and Y. If these functions are orthogonal then X.Ydz=0.

A function is said to be normalized if the integral of its product to itself is 1.

Consider a function X, if this function is normalized then X.Xdz=1.

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